Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)O[C@@H]1[C@H]2[C@@]34CCC[C@@]5(C)CN6C3[C@@H]3C[C@@H]1C(=C)[C@@H](O)C23C[C@]6(O)[C@@H]45
InChIKey
InChIKey=FCNJIYUCIABNLJ-NDTAKDOASA-N
Formula
C28H33NO5
Mass
463.574
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
Villanovane, atisane, trachylobane or helvifulvane diterpenoids - Atisane diterpenoids
Direct Parent
Hetisine-type diterpenoid alkaloids
Alternative Parents
P-methoxybenzoic acids and derivatives Azaspirodecane derivatives Quinolizidines Benzoic acid esters Alkaloids and derivatives Indoles and derivatives Indolizidines Isoindolines Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Azepanes N-alkylpyrrolidines Piperidines Secondary alcohols Hemiaminals Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hetisine-type diterpenoid alkaloid - P-methoxybenzoic acid or derivatives - Azaspirodecane - Benzoate ester - Quinolizidine - Benzoic acid or derivatives - Indole or derivatives - Indolizidine - Isoindoline - Isoindole or derivatives - Alkaloid or derivatives - Anisole - Phenoxy compound - Benzoyl - Methoxybenzene - Phenol ether - Azepane - Alkyl aryl ether - Piperidine - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Pyrrolidine - Cyclic alcohol - Secondary alcohol - Hemiaminal - Carboxylic acid ester - Azacycle - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkanolamine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alcohol - Organopnictogen compound - Hydrocarbon derivative - 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