Compound Identification
SMILES
CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](NC(=O)C3=CC=C(Cl)C=C3)C3[C@@](CO)(OC(C)=O)[C@@H](O)C[C@H](O)[C@@]3(C)C1=O)C2(C)C)OC(=O)[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1
InChIKey
InChIKey=YQYALPRUYTVJBI-UHDYDGGCSA-N
Formula
C45H57ClN2O15
Mass
901.4
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
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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
4-halobenzoic acids and derivatives Tricarboxylic acids and derivatives Benzamides Benzoyl derivatives Alpha-acyloxy ketones Chlorobenzenes Fatty acid esters Aryl chlorides Cyclitols and derivatives Monosaccharides Tertiary alcohols Carbamate esters Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Organic carbonic acids and derivatives Ketones Polyols Primary alcohols Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Taxane diterpenoid - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Halobenzene - Fatty acid ester - Chlorobenzene - Alpha-acyloxy ketone - Monosaccharide - Cyclitol or derivatives - Aryl chloride - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Cyclic alcohol - Tertiary alcohol - Carbamic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid ester - Ketone - Carbonic acid derivative - Polyol - Carboxylic acid derivative - Primary alcohol - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organochloride - Organic oxide - Organohalogen 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