Structure Information
Structure

Compound Identification

SMILES

COc1ccc-2c(c1)[C@H](CCc1cc(OC)c(OC)c(OC)c-21)\N=C\c1ccc(cc1)C(=O)O[C@H]([C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O

InChIKey

InChIKey=JMYYQKXMUGWOIQ-KVRQLLHLSA-N

Formula

C74H76N2O19

Mass

1297.417

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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 - Anisole - Fatty acid ester - Alkyl aryl ether - Alpha-acyloxy ketone - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Fatty acyl - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Carboxamide group - Ketone - Shiff base - Secondary carboxylic acid amide - Oxetane - Secondary alcohol - Aldimine - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Alcohol - Carbonyl group - Imine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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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