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(C)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(O)=O
InChIKey
InChIKey=CHQJHBRWOPFNCX-NMALPIGSSA-N
Formula
C29H35NO7
Mass
509.599
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 Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Secondary alkylarylamines Vinylogous amides Tertiary alcohols Carbonic acid monoesters Amino acids and derivatives Ketones Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organopnictogen compounds
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 - Benzenoid - Carbonic acid monoester - Cyclic alcohol - Vinylogous amide - Tertiary alcohol - Carbonic acid derivative - Ketone - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Amine - Organonitrogen 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