Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)C5=CC=CC=C5NC(=O)C5=C(NC(=O)C6=CC=CC=C6N(C)C)C(O)=CC=C5)C(C)=C[C@@]14C3=O)C2(C)C

InChIKey

InChIKey=NWUXCAUIAMSMJQ-IYVCBSORSA-N

Formula

C43H47N3O9

Mass

749.861

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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

Tigliane and ingenane diterpenoids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Ingenane diterpenoid - Benzanilide - Oligoanthrilamide fragment - Aromatic anilide - Anthranilamide - Benzoate ester - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Vinylogous amide - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as tigliane and ingenane diterpenoids. These are diterpenoids containing the tigliane or ingenane carbon skeleton. The tigliane skeleton is a tetracyclic ring that consists of the 4/7/6/3 ring junction. It is derived from casbane by 6,10- and 5,14-cyclizations and is a framework of phorbol. The ingenane skeleton is derived by rearrangement of tigliane.

External Descriptors

Not available

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