Compound Identification
SMILES
C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC5=C(C=CC=N5)C(F)(F)F)C(C)=CC14C3=O)C2(C)C
InChIKey
InChIKey=OEFFVEVFGAHZOV-KMTQLPBWSA-N
Formula
C26H30F3NO5
Mass
493.523
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- 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
Tigliane and ingenane diterpenoids
Alternative Parents
Alkyl aryl ethers Pyridines and derivatives Tertiary alcohols Heteroaromatic compounds Secondary alcohols Ketones 1,2-diols Azacyclic compounds Primary alcohols Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ingenane diterpenoid - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Tertiary alcohol - 1,2-diol - Ketone - Secondary alcohol - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tigliane and ingenane diterpenoids. These are diterpenoids containing the tigliane or ingenane carbon skeleton. The tigliane skeleton is a tetracyclic ring that consists of the 4/7/6/3 ring junction. It is derived from casbane by 6,10- and 5,14-cyclizations and is a framework of phorbol. The ingenane skeleton is derived by rearrangement of tigliane.
External Descriptors
Not available