Showing entry for Rosmarinic acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0001747
Compound NameRosmarinic acid
Structure
FormulaC18H16O8
InchiKeyDOUMFZQKYFQNTF-ZZXKWVIFSA-N
SMILES[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC(CC1=CC(O)=C(O)C=C1)C(O)=O
InchiInChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+
IUPAC(2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid
Molecular Weight360.31
Pubchem Id5315615
Chembl IdCHEMBL66966
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 50059986
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 - - - 8751
reviewed BXGT005130 PC4 and SFRS1-interacting protein reviewed Signaling PSIP1 - 6845 - -
reviewed BXGT005130 PC4 and SFRS1-interacting protein reviewed Signaling PSIP1 - 274.2 - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE - 1220000 - -
CHEMBL CHEMBL66966
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
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 251 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 11995 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 12589 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 891 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 50118 nM
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 35481 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 4466 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 12589 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 8912 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 8912 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 12589 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 15848 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 1584 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 31622 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 707 nM
Q9XUB2 BXGT022194 Zinc finger protein mex-5 reviewed - mex-5 EC50 '=' 8751 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 100000 nM
G5EF15 BXGT003524 Cytoplasmic zinc-finger protein unreviewed - pos-1 EC50 '=' 13604 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 1995 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 2511 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 8912 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 19905 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 25118 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 14125 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 2993 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 1995 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 3548 nM
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 19952 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 3981 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 28183 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 3380 nM
Q9H0H5 BXGT020436 Rac GTPase-activating protein 1 reviewed Enzyme modulator RACGAP1 IC50 - 35000 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 125892 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 125892 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 2393 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 39810 nM
P07378 BXGT006616 Phosphoglycerate kinase, glycosomal reviewed - Potency - 8912 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 1258 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 39810 nM
Q57TT1 BXGT015153 Uncharacterized protein unreviewed - Tb927.8.6820 Potency - 31622 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 79432 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 35481 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 2238 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 50118 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 1995 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 22387 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 10000 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 2685 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 56234 nM
Q4GZG4 BXGT014813 Phosphoglycerate kinase unreviewed - PGKC Potency - 12981 nM
O00167 BXGT003887 Eyes absent homolog 2 reviewed - EYA2 Potency - 4776 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00013 Dill Anethum graveolens Herbs and Spices
BXGF00019 Tarragon Artemisia dracunculus Herbs and Spices
BXGF00026 Borage Borago officinalis Herbs and Spices
BXGF00082 Fennel Foeniculum vulgare Herbs and Spices
BXGF00089 Hyssop Hyssopus officinalis Herbs and Spices
BXGF00108 Lemon balm Melissa officinalis Herbs and Spices
BXGF00110 Orange mint Mentha aquatica Herbs and Spices
BXGF00111 Cornmint Mentha arvensis Herbs and Spices
BXGF00112 Spearmint Mentha spicata Herbs and Spices
BXGF00113 Peppermint Mentha X piperita Herbs and Spices
BXGF00115 Bitter gourd Momordica charantia Gourds
BXGF00119 Sweet basil Ocimum basilicum Herbs and Spices
BXGF00122 Sweet marjoram Origanum majorana Herbs and Spices
BXGF00124 Common oregano Origanum vulgare Herbs and Spices
BXGF00131 Parsley Petroselinum crispum Herbs and Spices
BXGF00159 Rosemary Rosmarinus officinalis Herbs and Spices
BXGF00165 Common sage Salvia officinalis Herbs and Spices
BXGF00167 Summer savory Satureja hortensis Herbs and Spices
BXGF00168 Winter savory Satureja montana Herbs and Spices
BXGF00183 Common thyme Thymus vulgaris Herbs and Spices
BXGF00191 Highbush blueberry Vaccinium corymbosum Fruits
BXGF00242 Italian oregano Origanum X majoricum Herbs and Spices
BXGF00818 Herbs and Spices Herbs and Spices
BXGF03341 Lycopus lucidus Lycopus lucidus Medicinal Plant
BXGF04698 Isodon rubescens Isodon rubescens Others
BXGF04712 Prunus mume Prunus mume Medicinal Plant
BXGF04980 Mentha haplocalyx Mentha haplocalyx Medicinal Plant
BXGF05526 Salvia miltiorrhiza Salvia miltiorrhiza Medicinal Plant
BXGF06070 Perilla frutescens Perilla frutescens 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