Compound Identification
SMILES
CC(C)O[C@H]1[C@H](OC(C)C)[C@]2(C)CC[C@H](OC(=O)\C=C\C3=CC=CC=C3)C(=C)[C@H]2[C@H](OC(=O)C2=CC=CC=C2)[C@@H]2CC(=O)C(C)=C1C2(C)C
InChIKey
InChIKey=ZGOFLYZRBHAVAI-KHMUNGSWSA-N
Formula
C42H52O7
Mass
668.871
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
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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
Cinnamic acid esters Benzoic acid esters Styrenes Benzoyl derivatives Fatty acid esters Cyclohexenones Enoate esters Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Taxane diterpenoid - Cinnamic acid or derivatives - Cinnamic acid ester - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Styrene - Cyclohexenone - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Ketone - Carboxylic acid ester - Cyclic ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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