Compound Identification
SMILES
C[C@@]12CN3[C@H]4[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(C[C@@]57[C@H](OC(=O)C1=CC=CC=C1)C6=C)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=UNGOJOHXXMLDTC-QBKRTGCJSA-N
Formula
C41H37N3O10
Mass
731.758
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 Indoles and derivatives Indolizidines Nitrobenzenes Isoindolines Benzoyl derivatives Nitroaromatic compounds Azepanes Piperidines N-alkylpyrrolidines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organonitrogen compounds Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hetisine-type diterpenoid alkaloid - Nitrobenzoate - Azaspirodecane - Benzoate ester - Quinolizidine - Benzoic acid or derivatives - Indole or derivatives - Indolizidine - Isoindoline - Isoindole or derivatives - Nitrobenzene - Alkaloid or derivatives - Benzoyl - Nitroaromatic compound - Azepane - Benzenoid - Monocyclic benzene moiety - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic oxoazanium - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen 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