Compound Identification
SMILES
CCCCCC(=O)NC([C@@H](O)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(=O)C(=C1C)C2(C)C)OC(C)=O)C1=CC=CC=C1
InChIKey
InChIKey=LRZMCWPHMHOWNG-RDVZGMIZSA-N
Formula
C44H53NO13
Mass
803.902
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Benzoic acid esters Tricarboxylic acids and derivatives Benzoyl derivatives Fatty acid esters N-acyl amines Monosaccharides Beta-hydroxy ketones Alpha-diketones Alpha-branched alpha,beta-unsaturated ketones Tertiary alcohols Enones Enoate esters Acryloyl compounds Secondary alcohols Oxetanes Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - Benzoate ester - Tricarboxylic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Fatty acid ester - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - N-acyl-amine - Monosaccharide - Fatty amide - Beta-hydroxy ketone - Monocyclic benzene moiety - Alpha-diketone - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Enone - Cyclic alcohol - Acryloyl-group - Secondary alcohol - Oxetane - Ketone - Carboxylic acid ester - Carboxamide group - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - 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