Compound Identification
SMILES
C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CF)[C@@H](O)[C@]4(O)[C@@H](OC(=O)C5=CC=CC=C5)C(C)=C[C@@]14C3=O)C2(C)C
InChIKey
InChIKey=BRGNIPTUQSXBIE-KNOVOCADSA-N
Formula
C27H31FO5
Mass
454.538
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
Benzoic acid esters Benzoyl derivatives Tertiary alcohols Secondary alcohols Ketones Carboxylic acid esters 1,2-diols Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Ingenane diterpenoid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - 1,2-diol - Secondary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Alkyl fluoride - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organohalogen compound - Organofluoride - Organooxygen compound - Aromatic homopolycyclic 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