Compound Identification
SMILES
C[C@@H]1[C@@H](OC(=O)C=CC2=CC=CC=C2)[C@]2(OC(=O)C=CC3=CC=CC=C3)[C@H]([C@@H]3C=C(COC(=O)C=CC4=CC=CC=C4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C
InChIKey
InChIKey=SLUIIVYJIIKLOV-KWSPBQRWSA-N
Formula
C47H46O9
Mass
754.876
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Diterpenoids
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Class
Prenol lipids
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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
Rhamnofolane and daphnane diterpenoids Fatty alcohol esters Tricarboxylic acids and derivatives Fatty acid esters Benzene and substituted derivatives Alpha-branched alpha,beta-unsaturated ketones Acyloins Tertiary alcohols Enones Enoate esters Alpha-hydroxy ketones Acryloyl compounds Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Tigliane diterpenoid - Daphnane diterpenoid - Rhamnofolane diterpenoid - Fatty alcohol ester - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Monocyclic benzene moiety - Acyloin - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Enone - Cyclic alcohol - Alpha-hydroxy ketone - Acryloyl-group - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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