Structure Information
Structure

Compound Identification

SMILES

[H]C1([H])C[C@H](O)[C@@]2(CO2)[C@H]2[C@H](OC(C)=O)[C@@H]3CC(=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(=O)C4=CN=CC=C4)[C@]12C)C3(C)C

InChIKey

InChIKey=KKFCJNGKHYRAPZ-VJIPYNPASA-N

Formula

C30H37NO9

Mass

555.624

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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 - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Tricarboxylic acid or derivatives - Cyclohexenone - Pyridine - Cyclic alcohol - Heteroaromatic compound - Carboxylic acid ester - Ketone - Secondary alcohol - Cyclic ketone - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Alcohol - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen 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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