Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1C2[C@@H](CC(C)CN2CCNC(=O)CCCCCNC(=O)CCC2=CC=CC=C2)OC11CCC2C3CC=C4CC(=O)CCC4(C)C3CC2=C1C

InChIKey

InChIKey=WDHRPWOAMDJICD-BWBMXWGBSA-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 - Alkaloid or derivatives - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Piperidine - Fatty acyl - Benzenoid - Oxolane - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ketone - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen 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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