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 .BETA.-ASARONE

SMILES

COC1=CC(OC)=C(OC)C=C1\C=C/C

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
.BETA.-ASARONE
Systematic Name English
BENZENE, 1,2,4-TRIMETHOXY-5-(1Z)-1-PROPENYL-
Systematic Name English
CIS-.BETA.-ASARONE
Systematic Name English
1,2,4-TRIMETHOXY-5-PROPENYLBENZENE, Z-
Systematic Name English
BETA-ASARONE
Systematic Name English
CIS-ISOELEMICIN
Systematic Name English
(Z)-ASARONE
Common Name English
BENZENE, 1,2,4-TRIMETHOXY-5-PROPENYL-, (Z)-
Common Name English
BENZENE, 1,2,4-TRIMETHOXY-5-(1-PROPENYL)-, (Z)-
Common Name English
(Z)-5-PROPENYL-1,2,4-TRIMETHOXYBENZENE
Systematic Name English
(Z)-1,2,4-TRIMETHOXY-5-(1-PROPENYL)BENZENE
Systematic Name English
CIS-ISOASARONE
Common Name English
.BETA.-ASARONE, CIS-
Systematic Name English
2,4,5-TRIMETHOXYPROPEN-1-YLBENZENE
Systematic Name English
BENZENE, 1,2,4-TRIMETHOXY-5-(1Z)-1-PROPEN-1-YL-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION BETA-ASARONE
Created by admin on Fri Dec 15 20:16:57 UTC 2023 , Edited by admin on Fri Dec 15 20:16:57 UTC 2023
Code System Code Type Description
PUBCHEM
5281758
Created by admin on Fri Dec 15 20:16:57 UTC 2023 , Edited by admin on Fri Dec 15 20:16:57 UTC 2023
PRIMARY
CAS
5273-86-9
Created by admin on Fri Dec 15 20:16:57 UTC 2023 , Edited by admin on Fri Dec 15 20:16:57 UTC 2023
PRIMARY
EPA CompTox
DTXSID601020057
Created by admin on Fri Dec 15 20:16:57 UTC 2023 , Edited by admin on Fri Dec 15 20:16:57 UTC 2023
PRIMARY
ECHA (EC/EINECS)
226-096-6
Created by admin on Fri Dec 15 20:16:57 UTC 2023 , Edited by admin on Fri Dec 15 20:16:57 UTC 2023
PRIMARY
CHEBI
10353
Created by admin on Fri Dec 15 20:16:57 UTC 2023 , Edited by admin on Fri Dec 15 20:16:57 UTC 2023
PRIMARY
WIKIPEDIA
ASARONE
Created by admin on Fri Dec 15 20:16:57 UTC 2023 , Edited by admin on Fri Dec 15 20:16:57 UTC 2023
PRIMARY
FDA UNII
IGA3MH6IUW
Created by admin on Fri Dec 15 20:16:57 UTC 2023 , Edited by admin on Fri Dec 15 20:16:57 UTC 2023
PRIMARY