Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](NC(=O)C3=CC=CC=C3)C3[C@@](CO)(OC(C)=O)[C@@H](O)C[C@H](O)[C@@]3(C)C1=O)C2(C)C)OC(=O)[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1

InChIKey

InChIKey=PTTKSMOYHSBNQK-UHDYDGGCSA-N

Formula

C45H58N2O15

Mass

866.958

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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

Taxanes and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Taxane diterpenoid - Benzamide - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Alpha-acyloxy ketone - Fatty acid ester - Cyclitol or derivatives - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Monosaccharide - Carbamic acid ester - Tertiary alcohol - Cyclic alcohol - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Carbonic acid derivative - Carboxylic acid derivative - Polyol - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Primary alcohol - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as taxanes and derivatives. These are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] propellane ring system.

External Descriptors

Not available

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