Structure Information
Structure

Compound Identification

SMILES

CC1C2NCC(C)CC2OC11CCC2C3CCC4CC(CCC4(C)C3C(=O)C2=C1C)OC(=O)NCCNC(=O)CCC1=CC=CC=C1

InChIKey

InChIKey=FUQXNZHGVAYUFH-UHFFFAOYSA-N

Formula

C39H55N3O5

Mass

645.885

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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 - Fatty acyl - Benzenoid - Piperidine - Carbamic acid ester - Oxolane - Amino acid or derivatives - Carboxamide group - Ketone - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - 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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