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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H22O7
Molecular Weight 374.3845
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Diffractaic acid

SMILES

COC1=CC(C)=C(C(=O)OC2=CC(C)=C(C(O)=O)C(O)=C2C)C(OC)=C1C

InChI

InChIKey=MIJKZXWOOXIEEU-UHFFFAOYSA-N
InChI=1S/C20H22O7/c1-9-8-14(11(3)17(21)15(9)19(22)23)27-20(24)16-10(2)7-13(25-5)12(4)18(16)26-6/h7-8,21H,1-6H3,(H,22,23)

HIDE SMILES / InChI

Molecular Formula C20H22O7
Molecular Weight 374.3845
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
PubMed

PubMed

TitleDatePubMed
Diffractaic acid, a novel proapoptotic agent, induces with olive oil both apoptosis and antioxidative systems in Ti-implanted rabbits.
2012 Jan 15
Diffractaic acid: Crystalline structure and physicochemical characterization.
2016 Aug 5
Substance Class Chemical
Created
by admin
on Sat Dec 16 13:12:32 GMT 2023
Edited
by admin
on Sat Dec 16 13:12:32 GMT 2023
Record UNII
PD86RC383X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Diffractaic acid
Common Name English
Benzoic acid, 2,4-dimethoxy-3,6-dimethyl-, 4-carboxy-3-hydroxy-2,5-dimethylphenyl ester
Systematic Name English
beta-Resorcylic acid, 3,6-dimethyl-, 4-(2,4-dimethoxy-3,6-dimethylbenzoate)
Common Name English
NSC-5901
Code English
4-(2,4-dimethoxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid
Systematic Name English
NSC-685595
Code English
Code System Code Type Description
EPA CompTox
DTXSID40195883
Created by admin on Sat Dec 16 13:12:32 GMT 2023 , Edited by admin on Sat Dec 16 13:12:32 GMT 2023
PRIMARY
NSC
5901
Created by admin on Sat Dec 16 13:12:32 GMT 2023 , Edited by admin on Sat Dec 16 13:12:32 GMT 2023
PRIMARY
PUBCHEM
94870
Created by admin on Sat Dec 16 13:12:32 GMT 2023 , Edited by admin on Sat Dec 16 13:12:32 GMT 2023
PRIMARY
FDA UNII
PD86RC383X
Created by admin on Sat Dec 16 13:12:32 GMT 2023 , Edited by admin on Sat Dec 16 13:12:32 GMT 2023
PRIMARY
CAS
436-32-8
Created by admin on Sat Dec 16 13:12:32 GMT 2023 , Edited by admin on Sat Dec 16 13:12:32 GMT 2023
PRIMARY
NSC
685595
Created by admin on Sat Dec 16 13:12:32 GMT 2023 , Edited by admin on Sat Dec 16 13:12:32 GMT 2023
PRIMARY