Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)C(=O)O[C@@H]1[C@H]2[C@@]34CCC[C@]5(C)CN6[C@@H](C[C@@]22[C@H](C[C@@H]1C(=C)C2=O)[C@H]36)[C@@H]45

InChIKey

InChIKey=HHYBLGKKOKYQTP-PWTZGLDISA-N

Formula

C29H33NO5

Mass

475.585

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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

Villanovane, atisane, trachylobane or helvifulvane diterpenoids - Atisane diterpenoids

Direct Parent

Hetisine-type diterpenoid alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Hetisine-type diterpenoid alkaloid - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Quinolizidine - Azaspirodecane - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid or derivatives - Indole or derivatives - Indolizidine - Isoindoline - Isoindole or derivatives - Alkaloid or derivatives - Methoxybenzene - Benzoyl - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Azepane - Benzenoid - N-alkylpyrrolidine - Piperidine - Monocyclic benzene moiety - Pyrrolidine - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Ketone - Amino acid or derivatives - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as hetisine-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hetisine skeleton, which is a heptacyclic compound with an additional N-C-6 bond as compared with the hetidine-type, and thus, is one of most complex entries in the atisane-class.

External Descriptors

Not available

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