Compound Identification
SMILES
CC(=O)O[C@@H]1C2=C(C)C(C[C@@](O)(C(OC(=O)C3=CC=CC=C3)C3C4(COC4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)C(OC(=O)CCC(O)=O)C(NC(=O)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=RBNOJYDPFALIQZ-BVDMTWBHSA-N
Formula
C51H55NO17
Mass
953.991
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
Hexacarboxylic acids and derivatives N-benzylbenzamides Beta amino acids and derivatives Benzoic acid esters Benzoyl derivatives Alpha-acyloxy ketones Fatty acid esters Monosaccharides Tertiary alcohols Secondary carboxylic acid amides Secondary alcohols Oxetanes Ketones Carboxylic acid esters Cyclic alcohols and derivatives Oxacyclic compounds Carboxylic acids Dialkyl ethers Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hexacarboxylic acid or derivatives - Taxane diterpenoid - N-benzylbenzamide - Beta amino acid or derivatives - Benzoate ester - Benzamide - Benzoic acid or derivatives - Benzoyl - Fatty acid ester - Alpha-acyloxy ketone - Monocyclic benzene moiety - Fatty acyl - Monosaccharide - Benzenoid - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Oxetane - Secondary carboxylic acid amide - Carboxamide group - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Dialkyl ether - Ether - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Alcohol - Organonitrogen compound - Organic oxygen compound - 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