Compound Identification
SMILES
C[C@@]12CN3C4[C@@H]5C[C@H]6[C@H](O)[C@H]7[C@]4(CCC1)[C@@H]2[C@]3(CC57[C@H](O)C6=C)OC(=O)C1=CC=CC=C1
InChIKey
InChIKey=BHWWGOYSUKLJGC-LQTSVSAZSA-N
Formula
C27H31NO4
Mass
433.548
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
Villanovane, atisane, trachylobane or helvifulvane diterpenoids - Atisane diterpenoids
Direct Parent
Hetisine-type diterpenoid alkaloids
Alternative Parents
Quinolizidines Azaspirodecane derivatives Benzoic acid esters Alkaloids and derivatives Indoles and derivatives Indolizidines Isoindolines Benzoyl derivatives Azepanes N-alkylpyrrolidines Piperidines Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hetisine-type diterpenoid alkaloid - Azaspirodecane - Benzoate ester - Quinolizidine - Isoindoline - Benzoic acid or derivatives - Alkaloid or derivatives - Isoindole or derivatives - Indolizidine - Indole or derivatives - Benzoyl - Azepane - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Piperidine - Cyclic alcohol - Pyrrolidine - Carboxylic acid ester - Secondary alcohol - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hetisine-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hetisine skeleton, which is a heptacyclic compound with an additional N-C-6 bond as compared with the hetidine-type, and thus, is one of most complex entries in the atisane-class.
External Descriptors
Not available