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](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)\C=C\C1=CC=CC=C1
InChIKey
InChIKey=PPZXDJGRIUOJEB-ODILUHENSA-N
Formula
C40H44O12
Mass
716.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Diterpenoids
- Level 5 Taxanes and derivatives
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Subclass
Diterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
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
Tetracarboxylic acids and derivatives Cinnamic acid esters Benzoic acid esters Styrenes Benzoyl derivatives Alpha-acyloxy ketones Fatty acid esters Tertiary alcohols Enoate esters Secondary alcohols Oxetanes Cyclic alcohols and derivatives Ketones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - Tetracarboxylic acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Styrene - Alpha-acyloxy ketone - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Tertiary alcohol - Enoate ester - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Secondary alcohol - Oxetane - Ketone - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Ether - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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