Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](OC(=O)C4=CC(=CC(=C4)[N+]([O-])=O)N=[N+]=[N-])[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=BFXJCDDQOLYYAK-PUFPEYIYSA-N

Formula

C54H53N5O17

Mass

1044.036

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

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