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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8O4
Molecular Weight 180.1574
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CAFFEIC ACID

SMILES

OC(=O)\C=C\C1=CC(O)=C(O)C=C1

InChI

InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-N
InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+

HIDE SMILES / InChI
Molecular Formula C9H8O4
Molecular Weight 180.1574
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:32:10 UTC 2023
Edited
by admin
on Fri Dec 15 17:32:10 UTC 2023
Record UNII
U2S3A33KVM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CAFFEIC ACID
DSC   HSDB   INCI   MI   USP-RS  
INCI  
Official Name English
3,4-DIHYDROXYBENZENEACRYLIC ACID
Systematic Name English
CAFFEIC ACID [DSC]
Common Name English
2-PROPENOIC ACID, 3-(3,4-DIHYDROXYPHENYL)-, (2E)-
Code English
4-(2-CARBOXYETHENYL)-1,2-DIHYDROXYBENZENE
Systematic Name English
CAFFEIC ACID [INCI]
Common Name English
CAFFEIC ACID (CONSTITUENT OF BLACK COHOSH) [DSC]
Common Name English
Caffeic acid [WHO-DD]
Common Name English
3-(3,4-DIHYDROXYPHENYL)-2-PROPENOIC ACID
Systematic Name English
CAFFEIC ACID [IARC]
Common Name English
CINNAMIC ACID, 3,4-DIHYDROXY-
Common Name English
CAFFEIC ACID [HSDB]
Common Name English
NSC-57197
Code English
NSC-623438
Code English
CAFFEIC ACID [MI]
Common Name English
TRANS-3,4-DIHYDROXYCINNAMIC ACID
Common Name English
TRANS-CAFFEIC ACID
Common Name English
2-PROPENOIC ACID, 3-(3,4-DIHYDROXYPHENYL)-
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C68539
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
DSLD 1678 (Number of products:14)
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
Code System Code Type Description
DAILYMED
U2S3A33KVM
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
PRIMARY
CHEBI
16433
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
PRIMARY
NCI_THESAURUS
C68540
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
PRIMARY
ECHA (EC/EINECS)
206-361-2
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
PRIMARY
MESH
C040048
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
PRIMARY
NSC
57197
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
PRIMARY
SMS_ID
100000174372
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
PRIMARY
PUBCHEM
689043
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
PRIMARY
WIKIPEDIA
CAFFEIC ACID
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
PRIMARY
CAS
331-39-5
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
RXCUI
1311397
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
PRIMARY RxNorm
MERCK INDEX
m2908
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
PRIMARY Merck Index
HSDB
331-39-5
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
PRIMARY
CAS
501-16-6
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
PRIMARY
FDA UNII
U2S3A33KVM
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
PRIMARY
DRUG BANK
DB01880
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
PRIMARY
CHEBI
17395
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
PRIMARY
NSC
623438
Created by admin on Fri Dec 15 17:32:11 UTC 2023 , Edited by admin on Fri Dec 15 17:32:11 UTC 2023
PRIMARY
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ACTIVE MOIETY
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