Structure Information
Structure

Compound Identification

SMILES

CCN1C[C@]2(C)CC[C@@H](O)[C@@]34[C@@H]2CC(C13)[C@@]12C[C@H]([C@H](C[C@@H]41)OC(=O)C1=CC=C(OC)C=C1)C(=C)[C@H]2O

InChIKey

InChIKey=KIKGQMVIVCMOLQ-RKNYZAKYSA-N

Formula

C30H39NO5

Mass

493.644

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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

Kaurane diterpenoids

Direct Parent

Napelline-type diterpenoid alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Napelline-type diterpenoid alkaloid - P-methoxybenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Alkaloid or derivatives - Anisole - Methoxybenzene - Benzoyl - Phenoxy compound - Phenol ether - Alkyl aryl ether - Azepane - Monocyclic benzene moiety - Benzenoid - Piperidine - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Alcohol - Amine - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as napelline-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the napelline skeleton, which is a hexacyclic compound, with an additional C-20-C-7 bond in the kaurane-type.

External Descriptors

Not available

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