Compound Identification
SMILES
COC1=CC2=C(NC3=C2CCNC3C2=CC(CN3CCN(CC3)C3=CC=C(F)C=C3)=C(OC)C=C2)C=C1
InChIKey
InChIKey=AYLWCNKBMCMEMF-UHFFFAOYSA-N
Formula
C30H33FN4O2
Mass
500.618
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Harmala alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Harmala alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Harmala alkaloids
Alternative Parents
Beta carbolines Phenylpiperazines N-arylpiperazines 3-alkylindoles Aniline and substituted anilines Phenylmethylamines Phenoxy compounds Anisoles Benzylamines Methoxybenzenes Dialkylarylamines Alkyl aryl ethers Aralkylamines N-alkylpiperazines Fluorobenzenes Aryl fluorides Pyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - Phenylpiperazine - N-arylpiperazine - 3-alkylindole - Indole or derivatives - Indole - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Phenylmethylamine - Phenol ether - Anisole - Phenoxy compound - Tertiary aliphatic/aromatic amine - Benzylamine - N-alkylpiperazine - Halobenzene - Aralkylamine - Fluorobenzene - Alkyl aryl ether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Secondary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organohalogen compound - Amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as harmala alkaloids. These 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.
External Descriptors
Not available