Showing entry for Acetoside


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0025876
Compound NameAcetoside
Structure
FormulaC29H36O15
InchiKeyFBSKJMQYURKNSU-ZLSOWSIRSA-N
SMILESOC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O
InchiInChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
IUPAC[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Weight624.21
Pubchem Id5281800
Chembl IdCHEMBL444478
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 50241867
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT022194 Zinc finger protein mex-5 reviewed mex-5 - - - 9829
reviewed BXGT005130 PC4 and SFRS1-interacting protein reviewed Signaling PSIP1 - 31728 - -
reviewed BXGT005130 PC4 and SFRS1-interacting protein reviewed Signaling PSIP1 - 1407 - -
CHEMBL CHEMBL444478
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P09217 BXGT006872 Protein kinase C zeta type reviewed - Prkcz IC50 '=' 25000 nM
Q9WTQ0 BXGT021929 Protein kinase C theta type reviewed - Prkcq IC50 '=' 25000 nM
Q64617 BXGT016127 Protein kinase C eta type reviewed - Prkch IC50 '=' 25000 nM
P09215 BXGT006870 Protein kinase C delta type reviewed - Prkcd IC50 '=' 25000 nM
P63319 BXGT011518 Protein kinase C gamma type reviewed - Prkcg IC50 '=' 25000 nM
P09216 BXGT006871 Protein kinase C epsilon type reviewed - Prkce IC50 '=' 25000 nM
P68403 BXGT011600 Protein kinase C beta type reviewed - Prkcb IC50 '=' 25000 nM
P05696 BXGT006379 Protein kinase C alpha type reviewed - Prkca IC50 '=' 25000 nM
P09217 BXGT006872 Protein kinase C zeta type reviewed - Prkcz Inhibition '=' 9 %
Q9WTQ0 BXGT021929 Protein kinase C theta type reviewed - Prkcq Inhibition '=' 9 %
Q64617 BXGT016127 Protein kinase C eta type reviewed - Prkch Inhibition '=' 9 %
P09215 BXGT006870 Protein kinase C delta type reviewed - Prkcd Inhibition '=' 9 %
P63319 BXGT011518 Protein kinase C gamma type reviewed - Prkcg Inhibition '=' 9 %
P09216 BXGT006871 Protein kinase C epsilon type reviewed - Prkce Inhibition '=' 9 %
P68403 BXGT011600 Protein kinase C beta type reviewed - Prkcb Inhibition '=' 9 %
P05696 BXGT006379 Protein kinase C alpha type reviewed - Prkca Inhibition '=' 9 %
Q9Y468 BXGT022270 Lethal(3)malignant brain tumor-like protein 1 reviewed Epigenetic regulator L3MBTL1 Potency '=' 15848 nM
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA IC50 '=' 9300 nM
P09217 BXGT006872 Protein kinase C zeta type reviewed - Prkcz Ki '=' 28000 nM
Q9WTQ0 BXGT021929 Protein kinase C theta type reviewed - Prkcq Ki '=' 28000 nM
Q64617 BXGT016127 Protein kinase C eta type reviewed - Prkch Ki '=' 28000 nM
P09215 BXGT006870 Protein kinase C delta type reviewed - Prkcd Ki '=' 28000 nM
P63319 BXGT011518 Protein kinase C gamma type reviewed - Prkcg Ki '=' 28000 nM
P09216 BXGT006871 Protein kinase C epsilon type reviewed - Prkce Ki '=' 28000 nM
P68403 BXGT011600 Protein kinase C beta type reviewed - Prkcb Ki '=' 28000 nM
P05696 BXGT006379 Protein kinase C alpha type reviewed - Prkca Ki '=' 28000 nM
P12527 BXGT007824 Arachidonate 5-lipoxygenase reviewed - Alox5 Inhibition '=' 0 %
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 22387 nM
P09217 BXGT006872 Protein kinase C zeta type reviewed - Prkcz Activity - - -
Q9WTQ0 BXGT021929 Protein kinase C theta type reviewed - Prkcq Activity - - -
Q64617 BXGT016127 Protein kinase C eta type reviewed - Prkch Activity - - -
P09215 BXGT006870 Protein kinase C delta type reviewed - Prkcd Activity - - -
P63319 BXGT011518 Protein kinase C gamma type reviewed - Prkcg Activity - - -
P09216 BXGT006871 Protein kinase C epsilon type reviewed - Prkce Activity - - -
P68403 BXGT011600 Protein kinase C beta type reviewed - Prkcb Activity - - -
P05696 BXGT006379 Protein kinase C alpha type reviewed - Prkca Activity - - -
P09217 BXGT006872 Protein kinase C zeta type reviewed - Prkcz IC50 '=' 21000 nM
Q9WTQ0 BXGT021929 Protein kinase C theta type reviewed - Prkcq IC50 '=' 21000 nM
Q64617 BXGT016127 Protein kinase C eta type reviewed - Prkch IC50 '=' 21000 nM
P09215 BXGT006870 Protein kinase C delta type reviewed - Prkcd IC50 '=' 21000 nM
P63319 BXGT011518 Protein kinase C gamma type reviewed - Prkcg IC50 '=' 21000 nM
P09216 BXGT006871 Protein kinase C epsilon type reviewed - Prkce IC50 '=' 21000 nM
P68403 BXGT011600 Protein kinase C beta type reviewed - Prkcb IC50 '=' 21000 nM
P05696 BXGT006379 Protein kinase C alpha type reviewed - Prkca IC50 '=' 21000 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 29092 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 29092 nM
P62826 BXGT011463 GTP-binding nuclear protein Ran reviewed Enzyme modulator RAN Potency - 29092 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 63095 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 89125 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 4775 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 29092 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 17782 nM
P09217 BXGT006872 Protein kinase C zeta type reviewed - Prkcz Ki '=' 22000 nM
Q9WTQ0 BXGT021929 Protein kinase C theta type reviewed - Prkcq Ki '=' 22000 nM
Q64617 BXGT016127 Protein kinase C eta type reviewed - Prkch Ki '=' 22000 nM
P09215 BXGT006870 Protein kinase C delta type reviewed - Prkcd Ki '=' 22000 nM
P63319 BXGT011518 Protein kinase C gamma type reviewed - Prkcg Ki '=' 22000 nM
P09216 BXGT006871 Protein kinase C epsilon type reviewed - Prkce Ki '=' 22000 nM
P68403 BXGT011600 Protein kinase C beta type reviewed - Prkcb Ki '=' 22000 nM
P05696 BXGT006379 Protein kinase C alpha type reviewed - Prkca Ki '=' 22000 nM
P09217 BXGT006872 Protein kinase C zeta type reviewed - Prkcz IC50 '=' 68 nM
Q9WTQ0 BXGT021929 Protein kinase C theta type reviewed - Prkcq IC50 '=' 68 nM
Q64617 BXGT016127 Protein kinase C eta type reviewed - Prkch IC50 '=' 68 nM
P09215 BXGT006870 Protein kinase C delta type reviewed - Prkcd IC50 '=' 68 nM
P63319 BXGT011518 Protein kinase C gamma type reviewed - Prkcg IC50 '=' 68 nM
P09216 BXGT006871 Protein kinase C epsilon type reviewed - Prkce IC50 '=' 68 nM
P68403 BXGT011600 Protein kinase C beta type reviewed - Prkcb IC50 '=' 68 nM
P05696 BXGT006379 Protein kinase C alpha type reviewed - Prkca IC50 '=' 68 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 7800 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 22387 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 79432 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 22387 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 39810 nM
Q57TT1 BXGT015153 Uncharacterized protein unreviewed - Tb927.8.6820 Potency - 35481 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 44668 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 1694 nM
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Inhibition '=' 25 %
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 21192 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00196 Common verbena Verbena officinalis Herbs and Spices
BXGF00201 Climbing bean Vigna umbellata Pulses
BXGF00858 Euphorbia antiquorum Euphorbia antiquorum Medicinal Plant
BXGF00952 Cyathula tomentosa Cyathula tomentosa Medicinal Plant
BXGF00979 Cistanche deserticola Cistanche deserticola Medicinal Plant
BXGF01096 Scapania aequiloba Scapania aequiloba Others
BXGF01099 Exochorda giraldii Exochorda giraldii Others
BXGF01184 Buddleja officinalis Buddleja officinalis Medicinal Plant
BXGF01189 Artemisia argentea Artemisia argentea Others
BXGF01392 Brodiaea californica Brodiaea californica Others
BXGF01517 Allium stipitatum Allium stipitatum Medicinal Plant
BXGF01550 Callicarpa macrophylla Callicarpa macrophylla Medicinal Plant
BXGF01564 Spergula japonica Spergula japonica Others
BXGF01627 Asphodeline damascena Asphodeline damascena Others
BXGF01634 Ligustrum japonicus Ligustrum japonicus Others
BXGF01690 Populus yunnanensis Populus yunnanensis Others
BXGF01785 Campsis radicans Campsis radicans Medicinal Plant
BXGF01815 Scabiosa comosa Scabiosa comosa Medicinal Plant
BXGF01842 Plectranthus lanuginosus Plectranthus lanuginosus Medicinal Plant
BXGF01873 Kopsia longiflora Kopsia longiflora Medicinal Plant
BXGF01938 Lepidophorum repandum Lepidophorum repandum Others
BXGF01941 Scrophularia nodosa Scrophularia nodosa Medicinal Plant
BXGF01962 Alstonia pittieri Alstonia pittieri Others
BXGF01965 Angiopteris evecta Angiopteris evecta Medicinal Plant
BXGF01991 Rosa rugosa Rosa rugosa Medicinal Plant
BXGF02060 Euonymus japonicus Euonymus japonicus Medicinal Plant
BXGF02072 Ozothamnus obcordatus Ozothamnus obcordatus Others
BXGF02126 Rhododendron campylocarpum Rhododendron campylocarpum Others
BXGF02208 Stephania aculeata Stephania aculeata Others
BXGF02253 Quercus pedunculata Quercus pedunculata Others
BXGF02337 Penstemon linarioides Penstemon linarioides Others
BXGF02357 Euodia bodinieri Euodia bodinieri Others
BXGF02484 Danae racemosa Danae racemosa Others
BXGF02521 Hymenaea courbaril Hymenaea courbaril Medicinal Plant
BXGF02545 Toddalia aculeata Toddalia aculeata Medicinal Plant
BXGF02664 Ligustrum lucidum Ligustrum lucidum Medicinal Plant
BXGF02710 Abies alba Abies alba Medicinal Plant
BXGF02815 Pinellia ternata Pinellia ternata Medicinal Plant
BXGF02891 Isodon sculponeatus Isodon sculponeatus Others
BXGF02949 Xylosalsola arbuscula Xylosalsola arbuscula Others
BXGF02956 Forsythia viridissima Forsythia viridissima Medicinal Plant
BXGF02978 Tetradium ruticarpum Tetradium ruticarpum Medicinal Plant
BXGF03017 Decaisnea fargesii Decaisnea fargesii Medicinal Plant
BXGF03019 Melampodium argophyllum Melampodium argophyllum Others
BXGF03048 Campsis grandiflora Campsis grandiflora Medicinal Plant
BXGF03060 Arctotheca calendula Arctotheca calendula Human Edible Plant
BXGF03085 Elaeagnus orientalis Elaeagnus orientalis Medicinal Plant
BXGF03092 Codium fragile Codium fragile Medicinal Plant
BXGF03097 Psydrax livida Psydrax livida Human Edible Plant
BXGF03200 Daphniphyllum calycinum Daphniphyllum calycinum Medicinal Plant
BXGF03234 Plantago major Plantago major Medicinal Plant
BXGF03253 Forsythia suspensa Forsythia suspensa Medicinal Plant
BXGF03276 Crotalaria laburnifolia Crotalaria laburnifolia Medicinal Plant
BXGF03392 Paulownia tomentosa Paulownia tomentosa Medicinal Plant
BXGF03396 Himantoglossum hircinum Himantoglossum hircinum Others
BXGF03415 Aframomum sulcatum Aframomum sulcatum Human Edible Plant
BXGF03602 Orobanche coerulescens Orobanche coerulescens Medicinal Plant
BXGF03611 Viscum coloratum Viscum coloratum Medicinal Plant
BXGF03618 Marrubium vulgare Marrubium vulgare Medicinal Plant
BXGF03671 Leonurus japonicus Leonurus japonicus Medicinal Plant
BXGF03686 Diospyros buxifolia Diospyros buxifolia Medicinal Plant
BXGF03892 Sesamum indicum Sesamum indicum 0
BXGF03933 Achillea millefolium Achillea millefolium Medicinal Plant
BXGF03990 Castanopsis cuspidata Castanopsis cuspidata Medicinal Plant
BXGF04036 Solanum pseudopersicum Solanum pseudopersicum Others
BXGF04287 Acacia lasiopetala Acacia lasiopetala Others
BXGF04377 Euphrasia rubra Euphrasia rubra Others
BXGF04571 Jacaranda caucana Jacaranda caucana Others
BXGF04597 Notholaena lemmonii Notholaena lemmonii Others
BXGF04750 Scutellaria baicalensis Scutellaria baicalensis Medicinal Plant
BXGF04861 Rhodanthe maryonii Rhodanthe maryonii Others
BXGF04889 Pogostemon cablin Pogostemon cablin Medicinal Plant
BXGF05098 Plantago asiatica Plantago asiatica Medicinal Plant
BXGF05133 Montanoa guatemalensis Montanoa guatemalensis Others
BXGF05182 Senecio variabilis Senecio variabilis Others
BXGF05235 Phlomoides rotata Phlomoides rotata Others
BXGF05247 Dendrobium thyrsiflorum Dendrobium thyrsiflorum Medicinal Plant
BXGF05276 Digitalis purpurea Digitalis purpurea Medicinal Plant
BXGF05311 Pteris pacifica Pteris pacifica Others
BXGF05341 Scrophularia ningpoensis Scrophularia ningpoensis Medicinal Plant
BXGF05345 Phlomis umbrosa Phlomis umbrosa Medicinal Plant
BXGF05356 Euodia officinalis Euodia officinalis Others
BXGF05402 Myristica malabarica Myristica malabarica Medicinal Plant
BXGF05423 Laburnum watereri Laburnum watereri Others
BXGF05462 Campsis flos Campsis flos Others
BXGF05476 Broussonetia papyrifera Broussonetia papyrifera Medicinal Plant
BXGF05491 Harpagophytum procumbens Harpagophytum procumbens Medicinal Plant
BXGF05510 Ulva pertusa Ulva pertusa Medicinal Plant
BXGF05556 Globularia alypum Globularia alypum Medicinal Plant
BXGF05572 Spartium junceum Spartium junceum Medicinal Plant
BXGF05576 Lagotis brevituba Lagotis brevituba Others
BXGF05637 Dendrobium crepidatum Dendrobium crepidatum Others
BXGF05669 Marrubium velutinum Marrubium velutinum Medicinal Plant
BXGF05670 Scrophularia buergeriana Scrophularia buergeriana Medicinal Plant
BXGF05717 Sutherlandia frutescens Sutherlandia frutescens Others
BXGF05756 Cistanche tubulosa Cistanche tubulosa Medicinal Plant
BXGF05759 Baillonella toxisperma Baillonella toxisperma Medicinal Plant
BXGF05814 Rauvolfia serpentina Rauvolfia serpentina Medicinal Plant
BXGF05868 Centaurea cana Centaurea cana Others
BXGF05888 Brandisia hancei Brandisia hancei Medicinal Plant
BXGF05911 Viscum album Viscum album Medicinal Plant
BXGF05912 Alhagi persarum Alhagi persarum Others
BXGF05962 Rehmannia glutinosa Rehmannia glutinosa Medicinal Plant
BXGF05975 Acacia kempeana Acacia kempeana Medicinal Plant
BXGF06001 Polygonatum stenophyllum Polygonatum stenophyllum Others
BXGF06002 Euodia ruticarpa Euodia ruticarpa Others
BXGF06030 Teucrium lanigerum Teucrium lanigerum Others
BXGF06049 Eucalyptus kitsoniana Eucalyptus kitsoniana Others
BXGF06113 Plantago depressa Plantago depressa Medicinal Plant
BXGF06308 Plagiomnium cuspidatum Plagiomnium cuspidatum Others
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease