Compound Identification
SMILES
C[C@@]12CN3C4[C@@H]5C[C@H]6[C@H](OC(=O)C7=CC=C(C=C7)[N+]([O-])=O)[C@H]7[C@]4(CCC1)[C@@H]2[C@]3(CC57[C@H](OCC1=CC=CC=C1)C6=C)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=LJEGFBZNXYPMKW-CNLANCAJSA-N
Formula
C41H39N3O9
Mass
717.775
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
Nitrobenzoic acids and derivatives Quinolizidines Azaspirodecane derivatives Benzoic acid esters Alkaloids and derivatives Benzylethers Indoles and derivatives Indolizidines Isoindolines Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Azepanes N-alkylpyrrolidines Piperidines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hetisine-type diterpenoid alkaloid - Nitrobenzoate - Azaspirodecane - Quinolizidine - Benzoate ester - Alkaloid or derivatives - Benzoic acid or derivatives - Benzylether - Isoindole or derivatives - Indole or derivatives - Indolizidine - Nitrobenzene - Isoindoline - Benzoyl - Nitroaromatic compound - Azepane - Monocyclic benzene moiety - Piperidine - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - C-nitro compound - Organic nitro compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Dialkyl ether - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic cation - 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