Compound Identification
SMILES
CC(C)[C@H](NC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OCC3=CC=CC=C3)C3[C@@]4(COC4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)C1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=CHIGOKTVZMTXDQ-HCULDAMVSA-N
Formula
C44H56N2O14
Mass
836.932
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
Valine and derivatives N-carbamoyl-alpha amino acids Tricarboxylic acids and derivatives Benzylethers Fatty acid esters Monosaccharides Tertiary alcohols Ureas Secondary alcohols Oxetanes Carboxylic acid esters Cyclic alcohols and derivatives Ketones Polyols Oxacyclic compounds Carboxylic acids Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - Valine or derivatives - N-carbamoyl-alpha-amino acid - N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid or derivatives - Benzylether - Tricarboxylic acid or derivatives - Fatty acid ester - Monocyclic benzene moiety - Monosaccharide - Fatty acyl - Benzenoid - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Urea - Oxetane - Carboxylic acid ester - Ketone - Carbonic acid derivative - Polyol - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Alcohol - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen 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