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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO3
Molecular Weight 287.3535
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Mesembrenone, (+)-

SMILES

COC1=CC=C(C=C1OC)[C@]23CCN(C)[C@H]2CC(=O)C=C3

InChI

InChIKey=HDNHBCSWFYFPAN-IRXDYDNUSA-N
InChI=1S/C17H21NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10,16H,8-9,11H2,1-3H3/t16-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H21NO3
Molecular Weight 287.3535
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:21:41 GMT 2025
Edited
by admin
on Wed Apr 02 11:21:41 GMT 2025
Record UNII
HT8JNS8E79
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(+)-Mesembrenine
Preferred Name English
Mesembrenone, (+)-
Common Name English
MESEMBRENONE
Common Name English
(+)-Mesembrenone
Common Name English
6H-INDOL-6-ONE, 3A-(3,4-DIMETHOXYPHENYL)-1,2,3,3A,7,7A-HEXAHYDRO-1-METHYL-, (3AR-CIS)-
Systematic Name English
(3AR,7AS)-3A-(3,4-DIMETHOXYPHENYL)-1,2,3,3A,7,7A-HEXAHYDRO-1-METHYL-6H-INDOL-6-ONE
Systematic Name English
6H-Indol-6-one, 3a-(3,4-dimethoxyphenyl)-1,2,3,3a,7,7a-hexahydro-1-methyl-, (3aR,7aS)-
Systematic Name English
Code System Code Type Description
FDA UNII
HT8JNS8E79
Created by admin on Wed Apr 02 11:21:41 GMT 2025 , Edited by admin on Wed Apr 02 11:21:41 GMT 2025
PRIMARY
PUBCHEM
216272
Created by admin on Wed Apr 02 11:21:41 GMT 2025 , Edited by admin on Wed Apr 02 11:21:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID60963667
Created by admin on Wed Apr 02 11:21:41 GMT 2025 , Edited by admin on Wed Apr 02 11:21:41 GMT 2025
PRIMARY
WIKIPEDIA
Mesembrenone
Created by admin on Wed Apr 02 11:21:41 GMT 2025 , Edited by admin on Wed Apr 02 11:21:41 GMT 2025
PRIMARY
CAS
468-54-2
Created by admin on Wed Apr 02 11:21:41 GMT 2025 , Edited by admin on Wed Apr 02 11:21:41 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER