Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1[C@H]2C(C[C@H](C)CN2C(=O)CCC2=CC=C(C=C2)C(=O)CCCCCNCCN)O[C@]11CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC2=C1C

InChIKey

InChIKey=UEXHYPKVOFBABD-MMBLKLCGSA-N

Formula

C44H63N3O4

Mass

698.005

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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

Jerveratrum-type alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Jerveratrum-type alkaloid - Azasteroid - Alkyl-phenylketone - Butyrophenone - N-acyl-piperidine - Phenylketone - Alkaloid or derivatives - Aryl ketone - Aryl alkyl ketone - Benzoyl - Piperidine - Benzenoid - Monocyclic benzene moiety - Oxolane - Tertiary carboxylic acid amide - Cyclic ketone - Ketone - Amino acid or derivatives - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Carbonyl group - Primary aliphatic amine - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as jerveratrum-type alkaloids. These are steroidal alkaloids with a structure that is based on the jervane ring system. Jerveratrum alkaloids have alkamines with 1-3 oxygen atoms, and occur as such or as monoglycosides.

External Descriptors

Not available

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