Compound Identification
SMILES
CN(C)C(CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](OC(C)=O)[C@@]3(C)[C@H](OC(C)=O)[C@H](OC(=O)C3=CC=CC=C3)C(=C1C)C2(C)C)OC(C)=O)C1=CC=CC=C1
InChIKey
InChIKey=QSFNPGPZKAEJTK-GIVPQAIGSA-N
Formula
C46H57NO14
Mass
847.955
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 Benzoic acid esters Benzoyl derivatives Fatty acid esters Aralkylamines Tertiary alcohols Trialkylamines Oxetanes Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - Hexacarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Aralkylamine - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Oxetane - Carboxylic acid ester - Amino acid or derivatives - 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 - Carbonyl group - Amine - 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