Structure Information
Structure

Compound Identification

SMILES

C.CC1CC2C(C3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)C5=CC=CC=C5NC(=O)C5=CC=CC=C5NC(=O)C5=CC=CC=C5N(C)C)C(C)=CC14C3=O)C2(C)C

InChIKey

InChIKey=NIUJFLAAQUYTJV-ANEOLIFPSA-N

Formula

C44H51N3O8

Mass

749.905

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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

Not available

Substituents

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