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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

Molecular Formula C12H16O3
Molecular Weight 208.2536
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:16:57 UTC 2023
Edited
by admin
on Fri Dec 15 20:16:57 UTC 2023
Record UNII
IGA3MH6IUW
Record Status Validated (UNII)
Record Version
  • Download
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
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
In view of the toxic properties documented for the oil and associated with beta-asarone, it has been recommended that only beta-asarone-free calamus root should be used in phytotherapy.