Structure Information
Structure

Compound Identification

SMILES

CN(C)[C@H]([C@@H](O)C(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)C\C1=C/[C@H](OC(C)=O)[C@H]1C[C@H](OC(C)=O)C(C)=C([C@H](O)C2=O)C1(C)C)C1=CC=CC=C1

InChIKey

InChIKey=BAMOWEPNOWRITR-MLKLUNDGSA-N

Formula

C37H49NO11

Mass

683.795

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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 - Tetracarboxylic acid or derivatives - Aralkylamine - Fatty acid ester - Fatty acyl - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ketone - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - 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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