Compound Identification
SMILES
CC[C@]12OC1[C@H]1CC3(C2N(CCC2=C3NC3=C2C=CC(CC2=CC(OC)=C(OC)C=C2)=C3)C1=O)C(=O)OC
InChIKey
InChIKey=HRSSLGYLZKCXOG-CBMAUHEGSA-N
Formula
C30H32N2O6
Mass
516.594
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Ibogan-type alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Ibogan-type alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Ibogan-type alkaloids
Alternative Parents
Dimethoxybenzenes Pyrroloazepines 3-alkylindoles Piperidinecarboxylic acids Anisoles Phenoxy compounds Oxepanes 1,4-oxazepines Alkyl aryl ethers Epoxypiperidines Delta lactams Azepines Piperidinones Pyrroles Methyl esters Heteroaromatic compounds Tertiary carboxylic acid amides Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Catharanthine skeleton - Pyrroloazepine - O-dimethoxybenzene - Dimethoxybenzene - 3-alkylindole - Piperidinecarboxylic acid - Indole - Indole or derivatives - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Oxepane - Para-oxazepine - Alkyl aryl ether - Epoxypiperidine - Azepine - Delta-lactam - Piperidinone - Piperidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Carboxylic acid ester - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ibogan-type alkaloids. These are indole alkaloids with a structure based on the ibogamine skeleton or a derivative thereof. Ibogamine is a pentacyclic heterocyclic compound consisting of an indole fused to an azepane-containing tricyclic moiety ring. Iboga alkaloids arise from the cyclization of a secodine-type precursor through the formation of a 16,21 bond.
External Descriptors
Not available