Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(=C1)C(=O)O[C@H]1[C@@H]2[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=CO1)OC(C)=O

InChIKey

InChIKey=MWSYKNKNMMTOJD-BGKJQISDSA-N

Formula

C44H55NO17

Mass

869.914

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