Structure Information
Structure

Compound Identification

SMILES

CSSCCC(=O)N[C@@H](CC(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)N3CCOCC3)C(=C1C)C2(C)C)OC(C)=O

InChIKey

InChIKey=JVYRFOPAVDIVRI-PHGMAVRCSA-N

Formula

C45H62N2O15S2

Mass

935.11

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 - Beta amino acid or derivatives - Benzoate ester - Tricarboxylic acid or derivatives - Morpholine-4-carboxylic acid - Morpholine-4-carboxylic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Fatty acid ester - Monosaccharide - Fatty acyl - Benzenoid - Oxazinane - Morpholine - Monocyclic benzene moiety - Cyclic alcohol - Carbamic acid ester - Tertiary alcohol - Oxetane - Secondary alcohol - Ketone - Secondary carboxylic acid amide - Dialkyldisulfide - Organic disulfide - Carbonic acid derivative - Carboxylic acid ester - Carboxamide group - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Sulfenyl compound - Organic nitrogen compound - Alcohol - Carbonyl group - 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

Previous Back Next