Compound Identification
SMILES
C[C@@]12CN3C4[C@@H]5C[C@H]6[C@H](OC(=O)C7=CC=CC=C7)[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=QLSJWQIYAGXWNR-GVTZZGCCSA-N
Formula
C34H35NO5
Mass
537.656
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 Dicarboxylic acids and derivatives Piperidines N-alkylpyrrolidines Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hetisine-type diterpenoid alkaloid - Azaspirodecane - Benzoate ester - Quinolizidine - Indole or derivatives - Benzoic acid or derivatives - Alkaloid or derivatives - Indolizidine - Isoindoline - Isoindole or derivatives - Benzoyl - Azepane - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Dicarboxylic acid or derivatives - Piperidine - Cyclic alcohol - Pyrrolidine - Carboxylic acid ester - Secondary alcohol - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen 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