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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H10O4
Molecular Weight 194.184
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CAFFEIC ACID METHYL ESTER

SMILES

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

InChI

InChIKey=OCNYGKNIVPVPPX-HWKANZROSA-N
InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+

HIDE SMILES / InChI

Molecular Formula C10H10O4
Molecular Weight 194.184
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
1.5 mM [IC50]
Target ID: Protein tyrosine kinase
PubMed

PubMed

TitleDatePubMed
Hydroxylated aromatic inhibitors of HIV-1 integrase.
1995 Oct 13
Inhibitory effects of caffeic acid phenethyl ester derivatives on replication of hepatitis C virus.
2013
Activity of caffeic acid derivatives against Candida albicans biofilm.
2014 Mar 15
In vitro anticancer activity of methyl caffeate isolated from Solanum torvum Swartz. fruit.
2015 Dec 5
K20E, an oxidative-coupling compound of methyl caffeate, exhibits anti-angiogenic activities through down-regulations of VEGF and VEGF receptor-2.
2015 Jan 15
Patents

Patents

Substance Class Chemical
Created
by admin
on Thu Jul 06 01:07:58 UTC 2023
Edited
by admin
on Thu Jul 06 01:07:58 UTC 2023
Record UNII
N79173B9HF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CAFFEIC ACID METHYL ESTER
Common Name English
METHYL CAFFEATE
Common Name English
CINNAMIC ACID, 3,4-DIHYDROXY-, METHYL ESTER
Systematic Name English
METHYL-3,4-DIHYDROXY CINNAMATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID401030290
Created by admin on Thu Jul 06 01:07:58 UTC 2023 , Edited by admin on Thu Jul 06 01:07:58 UTC 2023
PRIMARY
CHEBI
6856
Created by admin on Thu Jul 06 01:07:58 UTC 2023 , Edited by admin on Thu Jul 06 01:07:58 UTC 2023
PRIMARY
CAS
3843-74-1
Created by admin on Thu Jul 06 01:07:58 UTC 2023 , Edited by admin on Thu Jul 06 01:07:58 UTC 2023
PRIMARY
WIKIPEDIA
METHYL CAFFEATE
Created by admin on Thu Jul 06 01:07:58 UTC 2023 , Edited by admin on Thu Jul 06 01:07:58 UTC 2023
PRIMARY
FDA UNII
N79173B9HF
Created by admin on Thu Jul 06 01:07:58 UTC 2023 , Edited by admin on Thu Jul 06 01:07:58 UTC 2023
PRIMARY
PUBCHEM
689075
Created by admin on Thu Jul 06 01:07:58 UTC 2023 , Edited by admin on Thu Jul 06 01:07:58 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT