FComEx: Harmaline (PC000757)

Record Information

Version

1.0

Creation date

2015-10-09 22:32:32 UTC

Update date

2017-01-19 02:36:35 UTC

FoodComEx ID

PC000757

FoodDB Record

Not Available

Chemical Information

Name

Harmaline

Description

Alkaloid from Passiflora incarnata (maypops). Harmaline is found in herbs and spices and fruits.

CAS Number

304-21-2

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
1-Methyl-7-methoxy-3, 4-dihydro-β-carboline	biospider
1-Methyl-7-methoxy-3, 4-dihydro-beta -carboline	HMDB
1-Methyl-7-methoxy-3,4-dihydro- beta-carboline	biospider
1-Methyl-7-methoxy-3,4-dihydro-β-carboline	biospider
1-Methyl-7-methoxy-3,4-dihydro-beta -carboline	HMDB
1-Methyl-7-methoxy-3,4-dihydro-beta-carboline	biospider
3, 4-Dihydroharmine	biospider
3,4-Dihydro-7-methoxy-1-methyl-9-pyrid(3,4-b)indole	biospider
3,4-Dihydro-7-methoxy-1-methyl-9-pyrid[3,4-b]indole	biospider
3,4-Dihydro-7-methoxy-1-methyl-9-pyrido(3,4-b)indole	biospider
3,4-Dihydro-7-methoxy-1-methyl-b-carboline	db_source
3,4-Dihydroharmine	biospider
3H-Pyrido(3,4-b)indole, 4,9-dihydro-7-methoxy-1-methyl-	biospider
3H-Pyrido[3,4-b]indole, 4,9-dihydro-7-methoxy-1-methyl-	biospider
4,9-Dihydro-7-methoxy-1-methyl-3H-pyrido(3,4-b)indole	biospider
4,9-Dihydro-7-methoxy-1-methyl-3H-pyrido[3,4-b]indole	db_source
7-methoxy-1-methyl-4,9-dihydro-3H-b-carboline	biospider
7-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline	biospider
7-Methoxy-1-methyl-4,9-dihydro-3H-β-carboline	Generator
Armalin	biospider
dihydro-Harmine	HMDB
Dihydroharmine	db_source
Harmalin	ChEBI
Harmaline	db_source
Harmalol methyl ether	biospider
Harmidine	db_source
Harmine, dihydro-	biospider
O-methylharmalol	biospider

Chemical Formula

Not Available

IUPAC name

Not Available

InChI Identifier

InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3

InChI Key

RERZNCLIYCABFS-UHFFFAOYSA-N

Isomeric SMILES

COC1=CC2=C(C=C1)C1=C(N2)C(C)=NCC1

Average Molecular Weight

214.2631

Monoisotopic Molecular Weight

214.11061308

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as harmala alkaloids. Harmala alkaloids are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Harmala alkaloids

Sub Class

Not Available

Direct Parent

Harmala alkaloids

Alternative Parents