Compound Identification
SMILES
C[C@@H]1C(=O)C[C@H]2[C@@H](OC(C)=O)C34C(=C)[C@H](CC[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C14C2(C)C)OC(=O)\C=C\C1=CC=CC=C1
InChIKey
InChIKey=BFWCKYWHUBGMKI-DNXMCBAUSA-N
Formula
C33H40O8
Mass
564.675
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
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
Fatty alcohol esters Cinnamic acid esters Tricarboxylic acids and derivatives Fatty acid esters Benzene and substituted derivatives Enoate esters Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
3,11-cyclotaxane diterpenoid - Cinnamic acid ester - Fatty alcohol ester - Cinnamic acid or derivatives - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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