Compound Identification
SMILES
CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1OC(=O)CCC(=O)O[C@H]([C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O)C(O)=O
InChIKey
InChIKey=AKSLVAOUPKFVAO-NNFJVSIVSA-N
Formula
C58H65NO23
Mass
1144.142
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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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
N-benzylbenzamides O-glucuronides Beta amino acids and derivatives O-glycosyl compounds Benzoic acid esters Benzoyl derivatives Alpha-acyloxy ketones Beta hydroxy acids and derivatives Fatty acid esters Pyrans Oxanes Monosaccharides Tertiary alcohols Secondary carboxylic acid amides Secondary alcohols Oxetanes Carboxylic acid esters Cyclic alcohols and derivatives Ketones Carboxylic acids Acetals Oxacyclic compounds Dialkyl ethers Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - N-benzylbenzamide - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Beta amino acid or derivatives - Glycosyl compound - O-glycosyl compound - Benzoate ester - Benzamide - Benzoic acid or derivatives - Benzoyl - Beta-hydroxy acid - Fatty acid ester - Alpha-acyloxy ketone - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Hydroxy acid - Monosaccharide - Oxane - Pyran - Tertiary alcohol - Cyclic alcohol - Oxetane - Ketone - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Dialkyl ether - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Alcohol - Organonitrogen compound - Organic nitrogen 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