Compound Identification
SMILES
COC1=C(C2=C(C=C1)C1=C(N2)C(C)N(CC1)S(=O)(=O)C1=CC=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=YHCVCRGGXONBCN-UHFFFAOYSA-N
Formula
C19H19N3O5S
Mass
401.44
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 3-alkylindoles Benzenesulfonamides Benzenesulfonyl compounds Methoxyanilines Anisoles Nitroaromatic compounds Alkyl aryl ethers Organosulfonamides Heteroaromatic compounds Pyrroles Sulfonyls Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harmaline - Harman - Pyridoindole - Beta-carboline - 3-alkylindole - Benzenesulfonamide - Indole or derivatives - Indole - Methoxyaniline - Benzenesulfonyl group - Phenol ether - Anisole - Nitroaromatic compound - Alkyl aryl ether - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic zwitterion - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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