Compound Identification
SMILES
CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)CN1CCN(CC3=CC4=C(OCO4)C=C3)CC1)[C@]1(C)[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)C3=CC=CC=C3)C3=CC=CC=C3)C(C)=C([C@@H](O)C1=O)C2(C)C
InChIKey
InChIKey=GXRZLUWTDYIZKB-VHAPJDSCSA-N
Formula
C59H65N3O16
Mass
1072.174
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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 Alpha amino acid esters Tetracarboxylic acids and derivatives Beta amino acids and derivatives Benzoic acid esters Benzodioxoles Benzoyl derivatives Aralkylamines Fatty acid esters N-alkylpiperazines Monosaccharides Tertiary alcohols Trialkylamines Secondary carboxylic acid amides Secondary alcohols Oxetanes Carboxylic acid esters Ketones Oxacyclic compounds Acetals Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - N-benzylbenzamide - Alpha-amino acid ester - Tetracarboxylic acid or derivatives - Beta amino acid or derivatives - Alpha-amino acid or derivatives - Benzoate ester - Benzamide - Benzodioxole - Benzoic acid or derivatives - Benzoyl - N-alkylpiperazine - Aralkylamine - Fatty acid ester - Benzenoid - 1,4-diazinane - Monosaccharide - Fatty acyl - Monocyclic benzene moiety - Piperazine - Tertiary alcohol - Oxetane - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid ester - Ketone - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Azacycle - Ether - Carboxylic acid derivative - Dialkyl ether - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Organooxygen 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