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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O3
Molecular Weight 208.2536
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISOELEMICIN

SMILES

COC1=CC(\C=C\C)=CC(OC)=C1OC

InChI

InChIKey=RRXOQHQFJOQLQR-AATRIKPKSA-N
InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOELEMICIN
Systematic Name English
BENZENE, 1,2,3-TRIMETHOXY-5-(1E)-1-PROPEN-1-YL-
Systematic Name English
ISOELEMICIN, TRANS-
Systematic Name English
ISOELEMICIN, (E)-
Systematic Name English
1,2,3-TRIMETHOXY-5-((1E)-1-PROPENYL)BENZENE
Systematic Name English
(E)-ISOELEMICIN
Systematic Name English
Code System Code Type Description
PUBCHEM
5318557
Created by admin on Fri Dec 15 19:49:48 GMT 2023 , Edited by admin on Fri Dec 15 19:49:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID80101754
Created by admin on Fri Dec 15 19:49:48 GMT 2023 , Edited by admin on Fri Dec 15 19:49:48 GMT 2023
PRIMARY
CAS
5273-85-8
Created by admin on Fri Dec 15 19:49:48 GMT 2023 , Edited by admin on Fri Dec 15 19:49:48 GMT 2023
PRIMARY
FDA UNII
9260LA114I
Created by admin on Fri Dec 15 19:49:48 GMT 2023 , Edited by admin on Fri Dec 15 19:49:48 GMT 2023
PRIMARY