Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](OC(=O)C(C)(C)CCSSC1=CC=CC=N1)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=MBEYWOPHTPPLEH-PIEJWSOOSA-N

Formula

C58H64N2O15S2

Mass

1093.27

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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 - Beta amino acid or derivatives - Benzoate ester - Benzamide - Benzoic acid or derivatives - Benzoyl - Fatty acid ester - Alpha-acyloxy ketone - Monosaccharide - Fatty acyl - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Cyclic alcohol - Tertiary alcohol - Organic disulfide - Carboxylic acid ester - Oxetane - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Ketone - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Dialkyl ether - Ether - Organic nitrogen compound - Carbonyl group - Alcohol - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen 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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