Showing entry for Rosmarinic Acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0048313
Compound NameRosmarinic Acid
Structure
FormulaC18H16O8
InchiKeyDOUMFZQKYFQNTF-WUTVXBCWSA-N
SMILESO=C(O[C@@H](C(=O)O)Cc1ccc(c(c1)O)O)/C=C/c1ccc(c(c1)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+/t16-/m1/s1
IUPAC(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
Molecular Weight360.08
Pubchem Id5281792
Chembl IdCHEMBL324842
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 ROA
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
P58399 BXGT011234 Basic phospholipase A2 homolog piratoxin-1 reviewed - - - - -
P02766 BXGT005953 Transthyretin reviewed TTR Transporter - - - -
Q9I834 BXGT020783 Basic phospholipase A2 homolog 2 reviewed - - - - -
Binding DB 50133496
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 BXGT012942 Induced myeloid leukemia cell differentiation protein Mcl-1 reviewed Signaling MCL1 - 2025.721712 - -
reviewed BXGT010038 Linoleate 9S-lipoxygenase-4 reviewed LOX1.5 - 1150000 - -
reviewed BXGT006427 Tyrosine-protein kinase Lck reviewed Kinase LCK - 24000 - -
reviewed BXGT005953 Transthyretin reviewed Transporter TTR - - - 8600
reviewed BXGT009724 72 kDa type IV collagenase reviewed Mmp2 - 27200 - -
reviewed BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 - 3910 - -
reviewed BXGT013265 Hyaluronidase-1 reviewed Enzyme HYAL1 - 545000 - -
reviewed BXGT004563 Polyphenol oxidase 2 reviewed PPO2 - 250000 - -
reviewed BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN - 1300 - -
reviewed BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN - 36000 - -
reviewed BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN 10200 - - -
reviewed BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN - 3600 - -
reviewed BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN 7500 - - -
reviewed BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN - 63000 - -
reviewed BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN - 74000 - -
reviewed BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN - 17000 - -
reviewed BXGT007859 Proto-oncogene tyrosine-protein kinase Src reviewed Kinase SRC - 26000 - -
reviewed BXGT006427 Tyrosine-protein kinase Lck reviewed Kinase LCK - 55000 - -
reviewed BXGT006120 Interstitial collagenase reviewed Enzyme MMP1 - 5600 - -
reviewed BXGT006354 Transcription factor AP-1 reviewed Transcription factor JUN - 16200 - -
CHEMBL CHEMBL324842
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
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 14125 nM
P02766 BXGT005953 Transthyretin reviewed Transporter TTR EC50 '=' 8600 nM
O75604 BXGT005139 Ubiquitin carboxyl-terminal hydrolase 2 reviewed Enzyme USP2 Potency '=' 25118 nM
P03956 BXGT006120 Interstitial collagenase reviewed Enzyme MMP1 Inhibition '=' 68 %
Q13093 BXGT013310 Platelet-activating factor acetylhydrolase reviewed Enzyme PLA2G7 Activity - - -
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 2511 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 223 nM
P33436 BXGT009724 72 kDa type IV collagenase reviewed - Mmp2 IC50 '=' 27200 nM
P06241 BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN IC50 '=' 36000 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 50118 nM
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 3162 nM
P14618 BXGT008027 Pyruvate kinase PKM reviewed Kinase PKM Potency '=' 1000 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 Inhibition '=' 58 %
Q9WKE8 BXGT021921 Reverse transcriptase unreviewed - reverse IC50 '=' 100000 nM
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 IC50 '=' 250000 nM
P9WMN3 BXGT012396 Bifunctional protein GlmU reviewed - glmU IC50 '=' 84940 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency '=' 631 nM
Q76353 BXGT016849 Integrase unreviewed - IC50 - - -
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 17740 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 9000 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 5623 nM
P40763 BXGT010202 Signal transducer and activator of transcription 3 reviewed Nucleic acid binding STAT3 Inhibition '=' 34 %
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 12589 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 29081 nM
P06241 BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN Ki '=' 10200 nM
P06239 BXGT006427 Tyrosine-protein kinase Lck reviewed Kinase LCK IC50 '=' 24000 nM
P06241 BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN IC50 '=' 63000 nM
P05412 BXGT006354 Transcription factor AP-1 reviewed Transcription factor JUN IC50 '=' 16200 nM
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Inhibition '=' 69 %
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 Inhibition '=' 7 %
P06241 BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN IC50 '=' 1300 nM
P12931 BXGT007859 Proto-oncogene tyrosine-protein kinase Src reviewed Kinase SRC IC50 '=' 26000 nM
Q76353 BXGT016849 Integrase unreviewed - IC50 '=' 63500 nM
P06241 BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN IC50 '=' 17000 nM
P06241 BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN Ki '=' 7500 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 14125 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 4000 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency '=' 44668 nM
P51692 BXGT010885 Signal transducer and activator of transcription 5B reviewed Nucleic acid binding STAT5B Inhibition '=' 32 %
Q07820 BXGT012942 Induced myeloid leukemia cell differentiation protein Mcl-1 reviewed Signaling MCL1 IC50 '=' 2025 nM
P06241 BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN IC50 '=' 74000 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 79432 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP EC50 '=' 57200 nM
Q12794 BXGT013265 Hyaluronidase-1 reviewed Enzyme HYAL1 IC50 '=' 545000 nM
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Inhibition '=' 40 %
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 3548 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 3548 nM
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Inhibition '=' 93 %
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 17782 nM
P06239 BXGT006427 Tyrosine-protein kinase Lck reviewed Kinase LCK IC50 '=' 55000 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 10000 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 22387 nM
P06241 BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN IC50 '=' 3600 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 125 nM
P37059 BXGT009957 Estradiol 17-beta-dehydrogenase 2 reviewed Enzyme HSD17B2 IC50 '=' 3720 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 16944 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP EC50 '=' 68100 nM
P07943 BXGT006700 Aldo-keto reductase family 1 member B1 reviewed - Akr1b1 IC50 '=' 3890 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP IC50 '=' 71900 nM
Q76353 BXGT016849 Integrase unreviewed - IC50 '=' 550 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency '=' 25118 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 14 %
P03956 BXGT006120 Interstitial collagenase reviewed Enzyme MMP1 IC50 '=' 5600 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Flu intensity '=' 3 -
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 223 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' -3 %
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP TIME '=' 5 hr
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 IC50 '=' 3910 nM
P42224 BXGT010286 Signal transducer and activator of transcription 1-alpha/beta reviewed Nucleic acid binding STAT1 Inhibition '=' 38 %
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP K '=' 0 /hr
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 103 %
P02766 BXGT005953 Transthyretin reviewed Transporter TTR Activity - - -
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 102 %
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP EC50 '=' 20300 nM
P14061 BXGT007979 Estradiol 17-beta-dehydrogenase 1 reviewed Enzyme HSD17B1 IC50 - - -
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 79 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00082 Fennel Foeniculum vulgare Herbs and Spices
BXGF00108 Lemon balm Melissa officinalis Herbs and Spices
BXGF00111 Cornmint Mentha arvensis Herbs and Spices
BXGF00113 Peppermint Mentha X piperita Herbs and Spices
BXGF00159 Rosemary Rosmarinus officinalis Herbs and Spices
BXGF00165 Common sage Salvia officinalis Herbs and Spices
BXGF00183 Common thyme Thymus vulgaris Herbs and Spices
BXGF00910 Glechoma longituba Glechoma longituba Medicinal Plant
BXGF00948 Artemisia apiacea Artemisia apiacea Medicinal Plant
BXGF00959 Artemisia hanseniana Artemisia hanseniana Others
BXGF01074 Centella asiatica Centella asiatica Medicinal Plant
BXGF01134 Arnebia euchroma Arnebia euchroma Medicinal Plant
BXGF01159 Kopsia grandifolia Kopsia grandifolia Others
BXGF01281 Ledebouria socialis Ledebouria socialis Others
BXGF01361 Lycopus europaeus Lycopus europaeus Medicinal Plant
BXGF01400 Dipterocarpus dyeri Dipterocarpus dyeri Others
BXGF01506 Thymus quinquecostatus Thymus quinquecostatus Medicinal Plant
BXGF01518 Ipomoea cairica Ipomoea cairica Medicinal Plant
BXGF01699 Ceanothus velutinus Ceanothus velutinus Medicinal Plant
BXGF01716 Mentha canadensis Mentha canadensis Medicinal Plant
BXGF01732 Garcinia scortechinii Garcinia scortechinii Others
BXGF01756 Apollonias barbujana Apollonias barbujana Others
BXGF01781 Chlorophytum borivilianum Chlorophytum borivilianum Medicinal Plant
BXGF02302 Astrantia major Astrantia major Medicinal Plant
BXGF02316 Isodon lophanthoides Isodon lophanthoides Medicinal Plant
BXGF02481 Prunella vulgaris Prunella vulgaris Medicinal Plant
BXGF02596 Fragaria vesca Fragaria vesca Medicinal Plant
BXGF03053 Arnebia guttata Arnebia guttata Medicinal Plant
BXGF03090 Lasianthus fordii Lasianthus fordii Others
BXGF03189 Rhododendron dauricum Rhododendron dauricum Medicinal Plant
BXGF03341 Lycopus lucidus Lycopus lucidus Medicinal Plant
BXGF03509 Plectranthus amboinicus Plectranthus amboinicus Medicinal Plant
BXGF03612 Symphytum officinale Symphytum officinale Medicinal Plant
BXGF04053 Smilax china Smilax china Medicinal Plant
BXGF04122 Glechoma grandis Glechoma grandis Medicinal Plant
BXGF04217 Agastache rugosa Agastache rugosa Medicinal Plant
BXGF04271 Artemisia annua Artemisia annua Medicinal Plant
BXGF04573 Rubia akane Rubia akane Medicinal Plant
BXGF04698 Isodon rubescens Isodon rubescens Others
BXGF04845 Sarcandra glabra Sarcandra glabra Medicinal Plant
BXGF05096 Aconitum leucostomum Aconitum leucostomum Medicinal Plant
BXGF05200 Aquilegia ecalcarata Aquilegia ecalcarata Medicinal Plant
BXGF05316 Persea mexicana Persea mexicana Others
BXGF05526 Salvia miltiorrhiza Salvia miltiorrhiza Medicinal Plant
BXGF05767 Gardenia tubifera Gardenia tubifera Medicinal Plant
BXGF05787 Smilax glabra Smilax glabra Medicinal Plant
BXGF05845 Panax innovans Panax innovans Others
BXGF05956 Blumea mollis Blumea mollis Medicinal Plant
BXGF06070 Perilla frutescens Perilla frutescens Medicinal Plant
BXGF06314 Teucrium scorodonia Teucrium scorodonia 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