Compound Identification
SMILES
CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@H]([C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C(=O)C1=CC=CO1)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=QMHQPZQRJQLLAQ-LSUGNRHLSA-N
Formula
C45H49NO14
Mass
827.88
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
N-benzylbenzamides Beta amino acids and derivatives Tricarboxylic acids and derivatives Aryl alkyl ketones Benzoyl derivatives Alpha-acyloxy ketones Fatty acid esters Monosaccharides Tertiary alcohols Furans Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Oxetanes Carboxylic acid esters Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - N-benzylbenzamide - Beta amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Aryl ketone - Aryl alkyl ketone - Fatty acid ester - Alpha-acyloxy ketone - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Furan - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Ketone - Secondary alcohol - Oxetane - Organoheterocyclic compound - Ether - Dialkyl ether - Oxacycle - Carboxylic acid derivative - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen 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