Compound Identification
SMILES
CS(O)(=O)=O.CN(C)CC(=O)OC(C(NC(=O)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)O[C@H]1C[C@@]2(O)C(OC(=O)C3=CC=CC=C3)C3C4(COC4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O
InChIKey
InChIKey=CZOVAQYHZHQUEZ-YTVKEYACSA-N
Formula
C52H62N2O18S
Mass
1035.12
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
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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
Depsipeptides Pentacarboxylic acids and derivatives N-benzylbenzamides Alpha amino acid esters Beta amino acids and derivatives Benzoic acid esters Benzoyl derivatives Alpha-acyloxy ketones Fatty acid esters Monosaccharides Tertiary alcohols Trialkylamines Secondary carboxylic acid amides Secondary alcohols Oxetanes Carboxylic acid esters Ketones Cyclic alcohols and derivatives Dialkyl ethers Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Depsipeptide - Taxane diterpenoid - Pentacarboxylic acid or derivatives - N-benzylbenzamide - Alpha-amino acid ester - Beta amino acid or derivatives - Alpha-amino acid or derivatives - Benzoate ester - Benzamide - Benzoic acid or derivatives - Benzoyl - Alpha-acyloxy ketone - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Tertiary alcohol - Cyclic alcohol - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary alcohol - Ketone - Oxetane - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Carbonyl group - Alcohol - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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