Compound Identification
SMILES
COC1=C(OC)C=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=GKGJETBMSMLTIX-QLRGOLNFSA-N
Formula
C29H35NO6
Mass
493.6
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 M-methoxybenzoic acids and derivatives Azaspirodecane derivatives Quinolizidines Benzoic acid esters Dimethoxybenzenes Alkaloids and derivatives Indoles and derivatives Indolizidines Isoindolines Anisoles Phenoxy compounds Benzoyl derivatives Alkyl aryl ethers Azepanes Piperidines N-alkylpyrrolidines Hemiaminals Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hetisine-type diterpenoid alkaloid - P-methoxybenzoic acid or derivatives - M-methoxybenzoic acid or derivatives - Quinolizidine - Azaspirodecane - Benzoate ester - Dimethoxybenzene - O-dimethoxybenzene - Isoindole or derivatives - Isoindoline - Indolizidine - Indole or derivatives - Benzoic acid or derivatives - Alkaloid or derivatives - Phenol ether - Benzoyl - Phenoxy compound - Anisole - Methoxybenzene - Azepane - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Hemiaminal - Alkanolamine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organopnictogen 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