Compound Identification
SMILES
CC(=O)O[C@@H]1[C@@H]2CC(=O)C(C)=C([C@@H](OC(=O)C3=CC=CC=C3)[C@H](O)[C@]3(C)CC[C@H](OC(=O)\C=C\C4=CC=CC=C4)C(=C)[C@@H]13)C2(C)C
InChIKey
InChIKey=KMQKPEPVJQBYMZ-OZANMSSWSA-N
Formula
C38H42O8
Mass
626.746
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Diterpenoids
- Level 5 Taxanes and derivatives
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Subclass
Diterpenoids
-
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
Cinnamic acid esters Benzoic acid esters Tricarboxylic acids and derivatives Styrenes Benzoyl derivatives Fatty acid esters Cyclohexenones Enoate esters Secondary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Taxane diterpenoid - Cinnamic acid ester - Cinnamic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Styrene - Cyclohexenone - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic ketone - Carboxylic acid ester - Secondary alcohol - Ketone - Carboxylic acid derivative - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic homopolycyclic 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