Structure Information
Structure

Compound Identification

SMILES

COc1cc(ccc1O)C(=O)OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(C)O)C5(O)CC24OC13O

InChIKey

InChIKey=LACNBXNHOAZRKX-UHFFFAOYSA-N

Formula

C35H49NO11

Mass

659.773

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroidal alkaloids

Intermediate Tree Nodes

Not available

Direct Parent

Cerveratrum-type alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cerveratrum-type alkaloid - Azasteroid - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Benzoate ester - Methoxyphenol - Quinolizidine - Benzoic acid or derivatives - Alkaloid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Oxepane - Phenol - Benzenoid - Monocyclic benzene moiety - Piperidine - Tertiary alcohol - Tetrahydrofuran - Cyclic alcohol - Amino acid or derivatives - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - 1,2-aminoalcohol - Hemiacetal - Ether - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Amine - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cerveratrum-type alkaloids. These are steroidal alkaloids containing the cevane (23-methyl-4- azahexacyclo[12.11.0.0^{2,11}.0^{4,9}.0^{15,24}.0^{18,23}]pentacosane) moiety, which is a six ring system. Cerveratrum alkaloids have 7-9 oxygen atoms and occur as free alkamines or esters of simple aliphatic or aromatic acids.

External Descriptors

Not available

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