Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@@H]1C2=C(C)C(C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](OC(=O)CCC4=CC=CC(=C4)C(=O)C4=CC=CC=C4)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=ANGWJMYUKHAWTF-NAUNINLVSA-N

Formula

C63H63NO16

Mass

1090.188

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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 - Pentacarboxylic acid or derivatives - N-benzylbenzamide - Benzophenone - Aryl-phenylketone - Diphenylmethane - Beta amino acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzamide - Benzoyl - Aryl ketone - Alpha-acyloxy ketone - Fatty acid ester - Monosaccharide - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Oxetane - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - 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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