Compound Identification
SMILES
CO[C@H]1O[C@H](CO)[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
InChIKey
InChIKey=GPBQAQZMUWCVPR-MMOPOKTJSA-N
Formula
C58H67NO22
Mass
1130.159
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
Hexacarboxylic acids and derivatives Saccharolipids N-benzylbenzamides Beta amino acids and derivatives O-glycosyl compounds Benzoic acid esters Benzoyl derivatives Alpha-acyloxy ketones Fatty acid esters Oxanes Monosaccharides Tertiary alcohols Ketones Oxetanes Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Acetals Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives Primary alcohols Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hexacarboxylic acid or derivatives - Taxane diterpenoid - Saccharolipid - N-benzylbenzamide - Beta amino acid or derivatives - Glycosyl compound - O-glycosyl compound - Benzoate ester - Benzoic acid or derivatives - Benzamide - Benzoyl - Alpha-acyloxy ketone - Fatty acid ester - Benzenoid - Monosaccharide - Fatty acyl - Oxane - Monocyclic benzene moiety - Cyclic alcohol - Tertiary alcohol - Ketone - Carboxamide group - Oxetane - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid ester - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Oxacycle - Ether - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic oxygen compound - Organic oxide - Organopnictogen 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