Compound Identification
SMILES
CNC1=CC=CC=C1C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(CO)=C[C@H]2[C@]2(C)C(C)(C)[C@]12OC(C)=O
InChIKey
InChIKey=UEMZKIAXCLBETE-XPADNMDQSA-N
Formula
C31H39NO7
Mass
537.653
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Aminobenzoic acids and derivatives Benzoic acid esters Aniline and substituted anilines Benzoyl derivatives Phenylalkylamines Secondary alkylarylamines Dicarboxylic acids and derivatives Vinylogous amides Tertiary alcohols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Amino acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Tigliane diterpenoid - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous amide - Tertiary alcohol - Cyclic alcohol - Amino acid or derivatives - Ketone - Carboxylic acid ester - Secondary amine - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organooxygen compound - Primary 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