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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8O4
Molecular Weight 168.1467
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROTOCATECHUIC ACID, METHYL ESTER

SMILES

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

InChI

InChIKey=CUFLZUDASVUNOE-UHFFFAOYSA-N
InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3

HIDE SMILES / InChI

Molecular Formula C8H8O4
Molecular Weight 168.1467
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Lignans and other constituents of the fruits of Euterpe oleracea (Acai) with antioxidant and cytoprotective activities.
2008 Sep 10
Antiinflammatory and lipoxygenase inhibitory compounds from Vitex agnus-castus.
2009 Sep
Antioxidant activity of colored rice bran obtained at different milling yields.
2010
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:00:31 UTC 2023
Edited
by admin
on Sat Dec 16 11:00:31 UTC 2023
Record UNII
G72J90268X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROTOCATECHUIC ACID, METHYL ESTER
Common Name English
BENZOIC ACID, 3,4-DIHYDROXY-, METHYL ESTER
Systematic Name English
NSC-146458
Code English
3,4-DIHYDROXYBENZOIC ACID METHYL ESTER
Systematic Name English
METHYL PROTOCATECHUATE
Systematic Name English
METHYL 3,4-DIHYDROXYBENZOATE
Systematic Name English
Code System Code Type Description
FDA UNII
G72J90268X
Created by admin on Sat Dec 16 11:00:31 UTC 2023 , Edited by admin on Sat Dec 16 11:00:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID20301804
Created by admin on Sat Dec 16 11:00:31 UTC 2023 , Edited by admin on Sat Dec 16 11:00:31 UTC 2023
PRIMARY
CHEBI
132366
Created by admin on Sat Dec 16 11:00:31 UTC 2023 , Edited by admin on Sat Dec 16 11:00:31 UTC 2023
PRIMARY
CAS
2150-43-8
Created by admin on Sat Dec 16 11:00:31 UTC 2023 , Edited by admin on Sat Dec 16 11:00:31 UTC 2023
PRIMARY
NSC
146458
Created by admin on Sat Dec 16 11:00:31 UTC 2023 , Edited by admin on Sat Dec 16 11:00:31 UTC 2023
PRIMARY
PUBCHEM
287064
Created by admin on Sat Dec 16 11:00:31 UTC 2023 , Edited by admin on Sat Dec 16 11:00:31 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
1,1-Diphenyl-2-picrylhydrazyl radical scavenging assay(DPPH) IC50 expressed as ug/mL = 7.5+/-0.4. In vitro hydroxyl radical scavenging assay(Hydroxy Radical) IC50 expressed as ug/mL = 1.1+/-0.11.