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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12N2O.ClH
Molecular Weight 236.697
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Harmalol hydrochloride

SMILES

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

InChI

InChIKey=BSWAWVOHMZNXOS-UHFFFAOYSA-N
InChI=1S/C12H12N2O.ClH/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;1H

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

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

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

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:04:59 GMT 2025
Edited
by admin
on Mon Mar 31 23:04:59 GMT 2025
Record UNII
5GP4735JS4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-640461
Preferred Name English
Harmalol hydrochloride
Common Name English
11-Hydroxyharmalan hydrochloride
Common Name English
Harmalol, hydrochloride
Common Name English
1-METHYL-3,4-DIHYDRO-BETA-CARBOLINE-7-OL HYDROCHLORIDE
Systematic Name English
3H-Pyrido[3,4-b]indol-7-ol, 4,9-dihydro-1-methyl-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50975693
Created by admin on Mon Mar 31 23:04:59 GMT 2025 , Edited by admin on Mon Mar 31 23:04:59 GMT 2025
PRIMARY
PUBCHEM
145825
Created by admin on Mon Mar 31 23:04:59 GMT 2025 , Edited by admin on Mon Mar 31 23:04:59 GMT 2025
PRIMARY
FDA UNII
5GP4735JS4
Created by admin on Mon Mar 31 23:04:59 GMT 2025 , Edited by admin on Mon Mar 31 23:04:59 GMT 2025
PRIMARY
CAS
6028-07-5
Created by admin on Mon Mar 31 23:04:59 GMT 2025 , Edited by admin on Mon Mar 31 23:04:59 GMT 2025
PRIMARY
NSC
640461
Created by admin on Mon Mar 31 23:04:59 GMT 2025 , Edited by admin on Mon Mar 31 23:04:59 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE