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
Steroid hormone activity of flavonoids and related compounds.	2000 Jul	10989984
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:50:54 GMT 2023` Edited by `admin` on `Fri Dec 15 19:50:54 GMT 2023`
Record UNII	2NQN80556Q
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

HARMALOL

Systematic 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

NSC-72293

Code

English

Code System Code Type Description

FDA UNII

2NQN80556Q

Created by admin on Fri Dec 15 19:50:54 GMT 2023 , Edited by admin on Fri Dec 15 19:50:54 GMT 2023

PRIMARY

MESH

C007904

Created by admin on Fri Dec 15 19:50:54 GMT 2023 , Edited by admin on Fri Dec 15 19:50:54 GMT 2023

PRIMARY

CHEBI

27943

Created by admin on Fri Dec 15 19:50:54 GMT 2023 , Edited by admin on Fri Dec 15 19:50:54 GMT 2023

PRIMARY

ECHA (EC/EINECS)

208-375-4

Created by admin on Fri Dec 15 19:50:54 GMT 2023 , Edited by admin on Fri Dec 15 19:50:54 GMT 2023

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EPA CompTox

DTXSID50894870

Created by admin on Fri Dec 15 19:50:54 GMT 2023 , Edited by admin on Fri Dec 15 19:50:54 GMT 2023

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CAS

525-57-5

Created by admin on Fri Dec 15 19:50:54 GMT 2023 , Edited by admin on Fri Dec 15 19:50:54 GMT 2023

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NSC

72293

Created by admin on Fri Dec 15 19:50:54 GMT 2023 , Edited by admin on Fri Dec 15 19:50:54 GMT 2023

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MERCK INDEX

m5917

Created by admin on Fri Dec 15 19:50:54 GMT 2023 , Edited by admin on Fri Dec 15 19:50:54 GMT 2023

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Merck Index

PUBCHEM

3565

Created by admin on Fri Dec 15 19:50:54 GMT 2023 , Edited by admin on Fri Dec 15 19:50:54 GMT 2023

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WIKIPEDIA

Harmalol

Created by admin on Fri Dec 15 19:50:54 GMT 2023 , Edited by admin on Fri Dec 15 19:50:54 GMT 2023

PRIMARY

Related Record Type Details


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SOLVATE->ANHYDROUS


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Harmalol hydrochloride

SALT/SOLVATE -> PARENT

Amount: