Structure Information
Structure

Compound Identification

SMILES

CC1C2NCC(C)CC2OC11CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)C2=C1C

InChIKey

InChIKey=KLTPAUQDYRELPI-UHFFFAOYSA-N

Formula

C27H37NO3

Mass

423.597

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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

Aliphatic heteropolycyclic compounds

Substituents

Jerveratrum-type alkaloid - Azasteroid - Alkaloid or derivatives - Cyclohexenone - Piperidine - Oxolane - Ketone - Cyclic ketone - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Secondary amine - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic nitrogen compound - Aliphatic 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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