Mesembrenone, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H21NO3
Molecular Weight	287.3535
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=HDNHBCSWFYFPAN-IAGOWNOFSA-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-/m1/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 16:45:45 GMT 2025` Edited by `admin` on `Wed Apr 02 16:45:45 GMT 2025`
Record UNII	Q2GU3ZXJ8S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(±)-Mesembrenine

Preferred Name

English

Mesembrenone, (±)-

Common Name

English

6H-Indol-6-one, 3a-(3,4-dimethoxyphenyl)-1,2,3,3a,7,7a-hexahydro-1-methyl-, cis-(±)-

Systematic Name

English

(±)-Mesembrenone

Common Name

English

rel-(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)-rel-

Systematic Name

English

Code System Code Type Description

CAS

35845-51-3

Created by admin on Wed Apr 02 16:45:45 GMT 2025 , Edited by admin on Wed Apr 02 16:45:45 GMT 2025

PRIMARY

FDA UNII

Q2GU3ZXJ8S

Created by admin on Wed Apr 02 16:45:45 GMT 2025 , Edited by admin on Wed Apr 02 16:45:45 GMT 2025

PRIMARY

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