Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](NC(=O)C3=CC=C(C=C3)[N+]([O-])=O)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1

InChIKey

InChIKey=MSUBKWROODGGIB-DXUJPXLTSA-N

Formula

C45H55N3O16

Mass

893.94

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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 - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Tricarboxylic acid or derivatives - Nitroaromatic compound - Benzoyl - Alpha-acyloxy ketone - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Monosaccharide - Benzenoid - Tertiary alcohol - Cyclic alcohol - Carbamic acid ester - C-nitro compound - Ketone - Organic nitro compound - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Oxetane - Carboxamide group - Carbonic acid derivative - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - 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

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