Compound Identification
SMILES
CCC(C)CCC(=O)NC(C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(COC4CC(OC4OCC(O)C(O)C4O)C3(C)C(=O)C(O)C(=C1C)C2(C)C)OC(C)=O)c1ccccc1
InChIKey
InChIKey=LMJKXOVDUJQGSQ-UHFFFAOYSA-N
Formula
C50H65NO17
Mass
952.06
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
Beta amino acids and derivatives O-glycosyl compounds Benzoic acid esters Tricarboxylic acids and derivatives Benzoyl derivatives Fatty acid esters Oxanes Monosaccharides N-acyl amines Tertiary alcohols Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Oxetanes Ketones Acetals Dialkyl ethers Polyols Oxacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - Beta amino acid or derivatives - Glycosyl compound - O-glycosyl compound - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Benzenoid - Monosaccharide - N-acyl-amine - Oxane - Cyclic alcohol - Tertiary alcohol - Oxetane - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Ketone - Carboxylic acid ester - Polyol - Carboxylic acid derivative - Acetal - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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