Showing entry for Beta-Amyrone



                             
General Compound Information
BXGC IdBXGC0018201
Compound NameBeta-Amyrone
Structure
FormulaC30H48O
InchiKeyLIIFBMGUDSHTOU-CFYIDONUSA-N
SMILESO=C1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C
InchiInChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-23H,10-19H2,1-8H3/t21-,22-,23+,27+,28-,29+,30+/m0/s1
IUPAC(4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
Molecular Weight424.37
Pubchem Id12306160
Chembl IdCHEMBL461060
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 50242248
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 BXGT006700 Aldo-keto reductase family 1 member B1 reviewed Akr1b1 - >100000 - -
reviewed BXGT009355 Nitric oxide synthase, inducible reviewed Nos2 - >50000 - -
CHEMBL CHEMBL461060
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
P29477 BXGT009355 Nitric oxide synthase, inducible reviewed - Nos2 IC50 '>' 50000 nM
P07943 BXGT006700 Aldo-keto reductase family 1 member B1 reviewed - Akr1b1 Inhibition '=' 3 %
P07943 BXGT006700 Aldo-keto reductase family 1 member B1 reviewed - Akr1b1 IC50 '>' 100000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00298 Cassava Manihot esculenta Vegetables
BXGF01054 Haemanthus toxicarius Haemanthus toxicarius Others
BXGF01196 Elaeagnus commutata Elaeagnus commutata Medicinal Plant
BXGF01215 Cirsium setosum Cirsium setosum Medicinal Plant
BXGF01263 Adenopeltis colliguaya Adenopeltis colliguaya Others
BXGF01265 Macaranga tanarius Macaranga tanarius Medicinal Plant
BXGF01306 Swartzia madagascariensis Swartzia madagascariensis Medicinal Plant
BXGF01372 Quercus mongolica Quercus mongolica Medicinal Plant
BXGF01380 Cneorum pulverulentum Cneorum pulverulentum Medicinal Plant
BXGF01446 Perityle vaseyi Perityle vaseyi Others
BXGF01533 Sindora wallichii Sindora wallichii Medicinal Plant
BXGF01551 Sauropus quadrangularis Sauropus quadrangularis Medicinal Plant
BXGF01566 Pedicularis condensata Pedicularis condensata Others
BXGF01605 Palafoxia rosea Palafoxia rosea Others
BXGF01643 Chrozophora obliqua Chrozophora obliqua Medicinal Plant
BXGF01685 Metanarthecium luteoviride Metanarthecium luteoviride Others
BXGF01717 Senecio flavus Senecio flavus Medicinal Plant
BXGF01749 Salvia coulteri Salvia coulteri Others
BXGF01855 Porella swartziana Porella swartziana Others
BXGF01930 Mollinedia costaricensis Mollinedia costaricensis Others
BXGF01948 Meconopsis napaulensis Meconopsis napaulensis Medicinal Plant
BXGF01968 Rheum webbianum Rheum webbianum Medicinal Plant
BXGF01978 Jacobaea adonidifolia Jacobaea adonidifolia Others
BXGF01999 Mascarenhasia arborescens Mascarenhasia arborescens Others
BXGF02029 Eucalyptus flocktoniae Eucalyptus flocktoniae Others
BXGF02051 Senna sophera Senna sophera Medicinal Plant
BXGF02057 Kummerowia striata Kummerowia striata Medicinal Plant
BXGF02112 Thymbra spicata Thymbra spicata Medicinal Plant
BXGF02130 Maytenus buxifolia Maytenus buxifolia Others
BXGF02135 Phoebe formosana Phoebe formosana Others
BXGF02153 Sida cordifolia Sida cordifolia Medicinal Plant
BXGF02258 Millettia conraui Millettia conraui Medicinal Plant
BXGF02278 Centaurea seridis Centaurea seridis Others
BXGF02309 Flindersia brayleyana Flindersia brayleyana Others
BXGF02319 Baccharis solieri Baccharis solieri Others
BXGF02335 Satureja cuneifolia Satureja cuneifolia Human Edible Plant
BXGF02358 Consolida ajacis Consolida ajacis Medicinal Plant
BXGF02637 Centaurea horrida Centaurea horrida Others
BXGF02640 Spilanthes ocymifolia Spilanthes ocymifolia Others
BXGF02650 Uvaria kirkii Uvaria kirkii Human Edible Plant
BXGF02659 Vernonia echitifolia Vernonia echitifolia Others
BXGF02739 Calophyllum thwaitesii Calophyllum thwaitesii Others
BXGF02778 Eucalyptus exserta Eucalyptus exserta Others
BXGF02793 Podolepis longipedata Podolepis longipedata Others
BXGF02836 Senecio polyodon Senecio polyodon Medicinal Plant
BXGF02850 Inga paterno Inga paterno Human Edible Plant
BXGF02941 Pluchea lanceolata Pluchea lanceolata Medicinal Plant
BXGF02942 Arnica foliosa Arnica foliosa Others
BXGF02996 Echinocystis lobata Echinocystis lobata Others
BXGF03071 Hypolepis punctata Hypolepis punctata Medicinal Plant
BXGF03152 Sophora japonica Sophora japonica Medicinal Plant
BXGF03193 Felicia amelloides Felicia amelloides Others
BXGF03283 Astilbe myriantha Astilbe myriantha Others
BXGF03287 Arnica viscosa Arnica viscosa Others
BXGF03340 Berberis crataegina Berberis crataegina Human Edible Plant
BXGF03360 Paramignya griffithii Paramignya griffithii Medicinal Plant
BXGF03440 Pteris inaequalis Pteris inaequalis Medicinal Plant
BXGF03486 Calceolaria thyrsiflora Calceolaria thyrsiflora Others
BXGF03494 Crataegus pontica Crataegus pontica Medicinal Plant
BXGF03505 Helenium quadridentatum Helenium quadridentatum Others
BXGF03526 Athanasia dregeana Athanasia dregeana Others
BXGF03549 Acacia cambagei Acacia cambagei Human Edible Plant
BXGF03555 Aster alpinus Aster alpinus Garden Plant
BXGF03623 Heracleum sphondylium Heracleum sphondylium Medicinal Plant
BXGF03666 Bituminaria bituminosa Bituminaria bituminosa Medicinal Plant
BXGF03741 Phlomoides medicinalis Phlomoides medicinalis Others
BXGF04140 Dalbergia stipulacea Dalbergia stipulacea Medicinal Plant
BXGF04553 Melaleuca decora Melaleuca decora Others
BXGF04699 Coptis trifolia subsp. groenlandica Coptis trifolia subsp. groenlandica Medicinal Plant
BXGF04950 Vitex pinnata Vitex pinnata Medicinal Plant
BXGF05080 Jungermannia obovata Jungermannia obovata Others
BXGF05092 Elaeocarpus fuscoides Elaeocarpus fuscoides Others
BXGF05394 Turraeanthus mannii Turraeanthus mannii Others
BXGF05430 Coleus garckeanus Coleus garckeanus Others
BXGF05447 Calodendrum capense Calodendrum capense Medicinal Plant
BXGF05479 Stevia purpurea Stevia purpurea Others
BXGF05490 Solanum sisymbriifolium Solanum sisymbriifolium Medicinal Plant
BXGF05519 Gerbera piloselloides Gerbera piloselloides Medicinal Plant
BXGF05540 Phegopteris subaurita Phegopteris subaurita Others
BXGF05624 Croton caudatus Croton caudatus Medicinal Plant
BXGF05781 Oxera splendida Oxera splendida Others
BXGF05849 Salacia chinensis Salacia chinensis Medicinal Plant
BXGF05955 Phlomoides hamosa Phlomoides hamosa Others
BXGF05980 Podocarpus montanus Podocarpus montanus Medicinal Plant
BXGF06046 Meconopsis horridula Meconopsis horridula Medicinal Plant
BXGF06055 Schisandra arisanensis Schisandra arisanensis Medicinal Plant
BXGF06085 Koompassia malaccensis Koompassia malaccensis Medicinal Plant
BXGF06285 Merremia umbellata Merremia umbellata Medicinal Plant
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