Compound Identification
SMILES
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)C2[C@H](OC(=O)C2=CC=CC=C2)[C@]2(O)CC(OC(=O)[C@H](O)[C@@H](NC(=O)C3=CC=CC=C3)C3=CC=CC=C3)C(C)=C([C@@H](OC(=O)CCC3=CC=CC(=C3)C(=O)C3=CC=CC=C3)C1=O)C2(C)C
InChIKey
InChIKey=PJLNVZZIOMCUEB-JGWFEUSGSA-N
Formula
C61H61NO15
Mass
1048.151
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
N-benzylbenzamides Benzophenones Tetracarboxylic acids and derivatives Diphenylmethanes Aryl-phenylketones Beta amino acids and derivatives Benzoic acid esters Benzoyl derivatives Fatty acid esters Alpha-acyloxy ketones Monosaccharides Tertiary alcohols Secondary alcohols Carboxylic acid esters Secondary carboxylic acid amides Oxetanes Cyclic alcohols and derivatives Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - N-benzylbenzamide - Benzophenone - Diphenylmethane - Aryl-phenylketone - Tetracarboxylic acid or derivatives - Beta amino acid or derivatives - Benzoate ester - Benzamide - Benzoic acid or derivatives - Benzoyl - Aryl ketone - Fatty acid ester - Alpha-acyloxy ketone - Fatty acyl - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Tertiary alcohol - Cyclic alcohol - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Oxetane - Ketone - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - 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