Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)C2C(OC(=O)C2=CC=CC=C2)[C@]2(O)CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C3=CC=CC=C3)C(C)=C([C@@H](O)C1=O)C2(C)C

InChIKey

InChIKey=ZDZOTLJHXYCWBA-HPKAYGKESA-N

Formula

C43H53NO14

Mass

807.89

Export to:

JSON SDF CSV

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 - Benzenoid - Monosaccharide - Beta-hydroxy ketone - Monocyclic benzene moiety - Acyloin - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carbamic acid ester - Tertiary alcohol - Cyclic alcohol - Alpha-hydroxy ketone - Secondary alcohol - Oxetane - Carbonic acid derivative - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - 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

Previous Back Next