Compound Identification
SMILES
CC[C@@H]1C[C@@H]2CN3CCC4=C(NC5=C4C=C(OC)C=C5)C(COC(=O)C4=CC(OC)=C(OC)C=C4)(C2)C13
InChIKey
InChIKey=VWFYUUBLQUOKET-NARBZXIWSA-N
Formula
C30H36N2O5
Mass
504.627
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Ibogan-type alkaloids
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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
P-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Pyrroloazepines 3-alkylindoles Dimethoxybenzenes Benzoic acid esters Phenoxy compounds Anisoles Benzoyl derivatives Aralkylamines Alkyl aryl ethers Azepines Piperidines Pyrroles Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Catharanthine skeleton - P-methoxybenzoic acid or derivatives - M-methoxybenzoic acid or derivatives - Pyrroloazepine - 3-alkylindole - Benzoate ester - O-dimethoxybenzene - Dimethoxybenzene - Benzoic acid or derivatives - Indole - Indole or derivatives - Methoxybenzene - Benzoyl - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Azepine - Aralkylamine - Benzenoid - Piperidine - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid or derivatives - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Amine - Organic nitrogen 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