Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)CN1CCN(CC3=CC4=C(OCO4)C=C3)CC1)[C@]1(C)[C@@H]2[C@H](OC(=O)C2=CC=CC=C2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C3=CC=CC=C3)C3=CC=CC=C3)C(C)=C([C@@H](O)C1=O)C2(C)C

InChIKey

InChIKey=GXRZLUWTDYIZKB-VHAPJDSCSA-N

Formula

C59H65N3O16

Mass

1072.174

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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 - N-benzylbenzamide - Alpha-amino acid ester - Tetracarboxylic acid or derivatives - Beta amino acid or derivatives - Alpha-amino acid or derivatives - Benzoate ester - Benzamide - Benzodioxole - Benzoic acid or derivatives - Benzoyl - N-alkylpiperazine - Aralkylamine - Fatty acid ester - Benzenoid - 1,4-diazinane - Monosaccharide - Fatty acyl - Monocyclic benzene moiety - Piperazine - Tertiary alcohol - Oxetane - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid ester - Ketone - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Azacycle - Ether - Carboxylic acid derivative - Dialkyl ether - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Organooxygen 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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