HARMALOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H12N2O
Molecular Weight	200.2365
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of HARMALOL

Structure Search

SMILES

CC1=NCCC2=C1NC3=C2C=CC(O)=C3

InChI

InChIKey=RHVPEFQDYMMNSY-UHFFFAOYSA-N

InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C12H12N2O
Molecular Weight	200.2365
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Title	Date	PubMed
Harmaline and harmalol inhibit the carcinogen-activating enzyme CYP1A1 via transcriptional and posttranslational mechanisms.	2012-02	22037238
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006-11	16497524
Anti-AIDS agents. 46. Anti-HIV activity of harman, an anti-HIV principle from Symplocos setchuensis, and its derivatives.	2001-07	11473435
Steroid hormone activity of flavonoids and related compounds.	2000-07	10989984

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:58:42 GMT 2025` Edited by `admin` on `Mon Mar 31 19:58:42 GMT 2025`
Record UNII	2NQN80556Q
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

HARMALOL

Systematic Name

English

NSC-72293

Preferred Name

English

4,9-DIHYDRO-1-METHYL-3H-PYRIDO(3,4-B)INDOL-7-OL

Systematic Name

English

3,4-DIHYDRO-1-METHYL-9H-PYRIDO(3,4-B)INDOL-7-OL

Systematic Name

English

3H-PYRIDO(3,4-B)INDOL-7-OL, 4,9-DIHYDRO-1-METHYL-

Systematic Name

English

HARMALOL [MI]

Common Name

English

Code System Code Type Description

FDA UNII

2NQN80556Q

Created by admin on Mon Mar 31 19:58:42 GMT 2025 , Edited by admin on Mon Mar 31 19:58:42 GMT 2025

PRIMARY

MESH

C007904

Created by admin on Mon Mar 31 19:58:42 GMT 2025 , Edited by admin on Mon Mar 31 19:58:42 GMT 2025

PRIMARY

CHEBI

27943

Created by admin on Mon Mar 31 19:58:42 GMT 2025 , Edited by admin on Mon Mar 31 19:58:42 GMT 2025

PRIMARY

ECHA (EC/EINECS)

208-375-4

Created by admin on Mon Mar 31 19:58:42 GMT 2025 , Edited by admin on Mon Mar 31 19:58:42 GMT 2025

PRIMARY

EPA CompTox

DTXSID50894870

Created by admin on Mon Mar 31 19:58:42 GMT 2025 , Edited by admin on Mon Mar 31 19:58:42 GMT 2025

PRIMARY

CAS

525-57-5

Created by admin on Mon Mar 31 19:58:42 GMT 2025 , Edited by admin on Mon Mar 31 19:58:42 GMT 2025

PRIMARY

NSC

72293

Created by admin on Mon Mar 31 19:58:42 GMT 2025 , Edited by admin on Mon Mar 31 19:58:42 GMT 2025

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MERCK INDEX

m5917

Created by admin on Mon Mar 31 19:58:42 GMT 2025 , Edited by admin on Mon Mar 31 19:58:42 GMT 2025

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Merck Index

PUBCHEM

3565

Created by admin on Mon Mar 31 19:58:42 GMT 2025 , Edited by admin on Mon Mar 31 19:58:42 GMT 2025

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WIKIPEDIA

Harmalol

Created by admin on Mon Mar 31 19:58:42 GMT 2025 , Edited by admin on Mon Mar 31 19:58:42 GMT 2025

PRIMARY

Related Record Type Details


					U0496FC66G

HARMALOL TRIHYDRATE

SOLVATE->ANHYDROUS


					5GP4735JS4

Harmalol hydrochloride

SALT/SOLVATE -> PARENT

Amount: