Structure Information
Structure

Compound Identification

SMILES

CCCCCC(=O)NC([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H](O)[C@@]3(C)C(=O)C(=O)C(=C1C)C2(C)C)OC(C)=O)C1=CC=CC=C1

InChIKey

InChIKey=LRZMCWPHMHOWNG-RDVZGMIZSA-N

Formula

C44H53NO13

Mass

803.902

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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 heteropolycyclic compounds

Substituents

Taxane diterpenoid - Benzoate ester - Tricarboxylic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Fatty acid ester - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - N-acyl-amine - Monosaccharide - Fatty amide - Beta-hydroxy ketone - Monocyclic benzene moiety - Alpha-diketone - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Enone - Cyclic alcohol - Acryloyl-group - Secondary alcohol - Oxetane - Ketone - Carboxylic acid ester - Carboxamide group - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic 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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