Compound Identification
SMILES
C\C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(C)=O)[C@@]2(C[C@H](O)C(C)=C12)C(C)(C)O)OC(C)=O
InChIKey
InChIKey=WZIKPCCWYGZOKS-ZSNGPAJNSA-N
Formula
C33H46O13
Mass
650.718
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
Pentacarboxylic acids and derivatives Fatty acid esters Tertiary alcohols Enoate esters Secondary alcohols Oxetanes Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
11(15->1)-abeotaxane diterpenoid - Pentacarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Oxetane - Secondary alcohol - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Aliphatic 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