Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C(=O)N[C@H]1C2[C@@]3(CO[C@@H]3C[C@H](O)[C@@]2(C)C(=O)[C@H](OC(C)=O)C2=C(C)[C@H](C[C@]1(O)C2(C)C)OC(=O)[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1)OC(C)=O

InChIKey

InChIKey=KYTNYQLBEGLYGY-YYWZGUNRSA-N

Formula

C46H58N2O15

Mass

878.969

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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 - Benzamide - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Fatty acid ester - Alpha-acyloxy ketone - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Monosaccharide - Carbamic acid ester - Cyclic alcohol - Tertiary alcohol - Oxetane - Carboxylic acid ester - Ketone - Carbonic acid derivative - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen 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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