Compound Identification
SMILES
CN(C)C(CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@H]([C@H](OC(C)=O)[C@@H]3CC(OC(C)=O)=C(C)[C@](O)([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C3(C)C)C1=C)C1=CC=CC=C1
InChIKey
InChIKey=WKBGGGLQBJFAIE-IRTYRTJHSA-N
Formula
C41H55NO13
Mass
769.885
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
Hexacarboxylic acids and derivatives Fatty acid esters Aralkylamines Benzene and substituted derivatives Tertiary alcohols Enol esters Trialkylamines Amino acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Taxane diterpenoid - Hexacarboxylic acid or derivatives - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Enol ester - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - 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