Compound Identification
SMILES
CC(=O)O[C@H]1[C@H](O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)C2=CC=CC=C2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)CO)C(C)=C1C2(C)C
InChIKey
InChIKey=TXLQXTRXOPDUPJ-PQERALFISA-N
Formula
C41H57NO17
Mass
835.897
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
Tetracarboxylic acids and derivatives Benzoic acid esters Benzoyl derivatives Fatty acid esters Monosaccharides Tertiary alcohols Carbamate esters Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Oxetanes Organic carbonic acids and derivatives Dialkyl ethers Polyols Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - Tetracarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Monosaccharide - Benzenoid - Cyclic alcohol - Carbamic acid ester - Tertiary alcohol - Carboxylic acid ester - Carbonic acid derivative - Oxetane - Secondary alcohol - Polyol - Carboxylic acid derivative - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Primary 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