Compound Identification
SMILES
COc1ccc-2c(c1)[C@H](CCc1cc(OC)c(OC)c(OC)c-21)\N=C\c1ccc(cc1)C(=O)O[C@H]([C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O
InChIKey
InChIKey=JMYYQKXMUGWOIQ-KVRQLLHLSA-N
Formula
C74H76N2O19
Mass
1297.417
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
Pentacarboxylic acids and derivatives N-benzylbenzamides Beta amino acids and derivatives Benzoic acid esters Anisoles Benzoyl derivatives Alkyl aryl ethers Alpha-acyloxy ketones Fatty acid esters Monosaccharides Tertiary alcohols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Oxetanes Secondary alcohols Secondary carboxylic acid amides Shiff bases Oxacyclic compounds Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - Pentacarboxylic acid or derivatives - N-benzylbenzamide - Beta amino acid or derivatives - Benzoate ester - Benzamide - Benzoic acid or derivatives - Benzoyl - Anisole - Fatty acid ester - Alkyl aryl ether - Alpha-acyloxy ketone - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Fatty acyl - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Carboxamide group - Ketone - Shiff base - Secondary carboxylic acid amide - Oxetane - Secondary alcohol - Aldimine - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Alcohol - Carbonyl group - Imine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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