Compound Identification
SMILES
COC(=O)C1C2CC3=C(NC4=CC=CC=C34)C(CC1C(CN2C)=CC)C1=CC2=C(C=C1OC)C1=C(N2)C2(CC3(O)CC(C(C)O)C2N(C3)CC1)C(=O)OC
InChIKey
InChIKey=IBUOUHXIRCTFOD-UHFFFAOYSA-N
Formula
C43H52N4O7
Mass
736.91
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
Vobasan alkaloids 3-alkylindoles Pyrroloazepines Piperidinecarboxylic acids Anisoles Alkyl aryl ethers Aralkylamines Azepines Dicarboxylic acids and derivatives 1,3-aminoalcohols Tertiary alcohols Pyrroles Heteroaromatic compounds Methyl esters Trialkylamines Secondary alcohols Cyclic alcohols and derivatives 1,2-aminoalcohols Amino acids and derivatives Azacyclic compounds Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Vobasan skeleton - Catharanthine skeleton - Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Anisole - Aralkylamine - Alkyl aryl ether - Azepine - Benzenoid - Dicarboxylic acid or derivatives - Piperidine - Heteroaromatic compound - Methyl ester - Tertiary alcohol - Cyclic alcohol - Pyrrole - 1,3-aminoalcohol - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Secondary alcohol - 1,2-aminoalcohol - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Amine - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Alcohol - Organonitrogen compound - Organooxygen 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