Compound Identification
SMILES
CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](O)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C
InChIKey
InChIKey=MGJMLMORVVDLIU-VHLOTGQHSA-N
Formula
C31H40O10
Mass
572.651
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Fatty alcohol esters Benzoic acid esters Benzoyl derivatives Fatty acid esters Dicarboxylic acids and derivatives Tertiary alcohols Enoate esters Secondary alcohols Oxetanes Ketones Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - Fatty alcohol ester - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Fatty acid ester - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Oxetane - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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