Compound Identification
SMILES
COC(=O)OC12COC1CC(O)C1(C)C2C(OC(=O)C2=CC=CC=C2)C2(O)CC(C)(O)C(C)=C(C(OC(C)=O)C1=O)C2(C)C
InChIKey
InChIKey=XYRSHLBSOPOPJO-UHFFFAOYSA-N
Formula
C32H40O12
Mass
616.66
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 Alpha-acyloxy ketones Dicarboxylic acids and derivatives Carbonic acid diesters Beta-hydroxy ketones Tertiary alcohols Enoate esters Secondary alcohols Oxetanes Cyclic alcohols and derivatives Polyols 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 - Alpha-acyloxy ketone - Fatty acid ester - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Carbonic acid diester - Beta-hydroxy ketone - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Oxetane - Carbonic acid derivative - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - 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