Structure Information
Structure

Compound Identification

SMILES

CCO[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(=O)C1=CC(OC)=C(OC)C=C1)[C@@]13C4[C@@H]2[C@H](OC)[C@@H]1[C@@](COC)(CC[C@@H]3OC)CN4CC

InChIKey

InChIKey=QFKWIMHKBFXRAU-BFTBLJQHSA-N

Formula

C36H53NO9

Mass

643.818

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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 - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Quinolidine - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid or derivatives - Alkaloid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Azepane - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Piperidine - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - 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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