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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H22O6
Molecular Weight 346.3744
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of Corallocin A

SMILES

COC1=C(C\C=C(/C)CC\C=C(/C)C(O)=O)C(O)=C2COC(=O)C2=C1

InChI

InChIKey=SJLLKLUVRUWXCJ-IAVOFVOCSA-N
InChI=1S/C19H22O6/c1-11(5-4-6-12(2)18(21)22)7-8-13-16(24-3)9-14-15(17(13)20)10-25-19(14)23/h6-7,9,20H,4-5,8,10H2,1-3H3,(H,21,22)/b11-7+,12-6+

HIDE SMILES / InChI

Approval Year

Name Type Language
Corallocin A
Common Name English
2,6-Octadienoic acid, 8-(1,3-dihydro-4-hydroxy-6-methoxy-1-oxo-5-isobenzofuranyl)-2,6-dimethyl-, (2E,6E)-
Systematic Name English
(2E,6E)-8-(1,3-Dihydro-4-hydroxy-6-methoxy-1-oxo-5-isobenzofuranyl)-2,6-dimethyl-2,6-octadienoic acid
Systematic Name English
Code System Code Type Description
CAS
2002492-43-3
Created by admin on Sat Dec 16 19:36:12 GMT 2023 , Edited by admin on Sat Dec 16 19:36:12 GMT 2023
PRIMARY
PUBCHEM
132524618
Created by admin on Sat Dec 16 19:36:12 GMT 2023 , Edited by admin on Sat Dec 16 19:36:12 GMT 2023
PRIMARY
FDA UNII
PEK5Y96D9R
Created by admin on Sat Dec 16 19:36:12 GMT 2023 , Edited by admin on Sat Dec 16 19:36:12 GMT 2023
PRIMARY