Compound Identification
SMILES
CC(=O)OC12COC1CC(O)C1(C)C2C(OC(=O)C2=CC=CC=C2)C2(O)CC(OC(=O)CC(N)C3=CC=CC=C3)C(C)=C(C(OC#C)C1=O)C2(C)C
InChIKey
InChIKey=YDJPWHQSRAEGSV-UHFFFAOYSA-N
Formula
C40H45NO11
Mass
715.796
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Diterpenoids
- Level 5 Taxanes and derivatives
-
Subclass
Diterpenoids
-
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
Beta amino acids and derivatives Benzoic acid esters Tricarboxylic acids and derivatives Benzoyl derivatives Aralkylamines Fatty acid esters Tertiary alcohols Secondary alcohols Oxetanes Carboxylic acid esters Cyclic alcohols and derivatives Ketones Dialkyl ethers Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - Beta amino acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Oxetane - Carboxylic acid ester - Ketone - Amino acid or derivatives - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Organoheterocyclic compound - Ether - Alcohol - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - 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