Structure Information
Structure

Compound Identification

SMILES

CCC(C)CCC(=O)NC(C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(COC4CC(OC4OCC(O)C(O)C4O)C3(C)C(=O)C(O)C(=C1C)C2(C)C)OC(C)=O)c1ccccc1

InChIKey

InChIKey=LMJKXOVDUJQGSQ-UHFFFAOYSA-N

Formula

C50H65NO17

Mass

952.06

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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 - Beta amino acid or derivatives - Glycosyl compound - O-glycosyl compound - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Benzenoid - Monosaccharide - N-acyl-amine - Oxane - Cyclic alcohol - Tertiary alcohol - Oxetane - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Ketone - Carboxylic acid ester - Polyol - Carboxylic acid derivative - Acetal - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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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