Structure Information
Structure

Compound Identification

SMILES

CCN1CC2(COC)CCC(OC)C34C5CC6C(OC(=O)\C=C\C7=CC(OC)=C(OC)C=C7)C5C(O)(CC6OC)C(CC23)C14

InChIKey

InChIKey=WLRWZOWXGYYWOQ-PKNBQFBNSA-N

Formula

C35H49NO8

Mass

611.776

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Diterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Aconitane-type diterpenoid alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aconitane-type diterpenoid alkaloid - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Quinolidine - Dimethoxybenzene - O-dimethoxybenzene - Alkaloid or derivatives - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Azepane - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Piperidine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Alcohol - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom.

External Descriptors

Not available

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