U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H12O9
Molecular Weight 312.229
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CAFTARIC ACID

SMILES

O[C@H]([C@@H](OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O)C(O)=O

InChI

InChIKey=SWGKAHCIOQPKFW-JTNORFRNSA-N
InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P06239|||Q96DW4
Gene ID: 3932.0
Gene Symbol: LCK
Target Organism: Homo sapiens (Human)
118.0 µM [IC50]
Target ID: P12931
Gene ID: 6714.0
Gene Symbol: SRC
Target Organism: Homo sapiens (Human)
74.0 µM [IC50]
Name Type Language
CAFTARIC ACID
Common Name English
CAFTARIC ACID (CONSTITUENT OF ECHINACEA ANGUSTIFOLIA ROOT, ECHINACEA PALLIDA ROOT, ECHINACEA PURPUREA ROOT AND ECHINACEA PURPUREA AERIAL PARTS) [DSC]
Common Name English
TRANS-CAFTARIC ACID
Common Name English
(2R,3R)-2-(((2E)-3-(3,4-DIHYDROXYPHENYL)-2-PROPENOYL)OXY)-3-HYDROXYSUCCINIC ACID
Systematic Name English
BUTANEDIOIC ACID, 2-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-3-HYDROXY-, (2R,3R)-
Systematic Name English
CAFTARIC ACID [USP-RS]
Common Name English
Code System Code Type Description
WIKIPEDIA
Caftaric acid
Created by admin on Sat Dec 16 08:32:12 GMT 2023 , Edited by admin on Sat Dec 16 08:32:12 GMT 2023
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CHEBI
76075
Created by admin on Sat Dec 16 08:32:12 GMT 2023 , Edited by admin on Sat Dec 16 08:32:12 GMT 2023
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PUBCHEM
6440397
Created by admin on Sat Dec 16 08:32:12 GMT 2023 , Edited by admin on Sat Dec 16 08:32:12 GMT 2023
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RS_ITEM_NUM
1086039
Created by admin on Sat Dec 16 08:32:12 GMT 2023 , Edited by admin on Sat Dec 16 08:32:12 GMT 2023
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EPA CompTox
DTXSID3036866
Created by admin on Sat Dec 16 08:32:12 GMT 2023 , Edited by admin on Sat Dec 16 08:32:12 GMT 2023
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CAS
67879-58-7
Created by admin on Sat Dec 16 08:32:12 GMT 2023 , Edited by admin on Sat Dec 16 08:32:12 GMT 2023
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FDA UNII
WCV7W3174L
Created by admin on Sat Dec 16 08:32:12 GMT 2023 , Edited by admin on Sat Dec 16 08:32:12 GMT 2023
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