Compound Identification
SMILES
COC[C@@]12CCC(OC)C34[C@@H]5CC6(O)C(OC(=O)C7=CC=CC=C7)[C@@H]5[C@@](C[C@@H]6OC)(OC(C)=O)[C@@H](C(OC)[C@H]13)[C@@H]4N(C2)C=O
InChIKey
InChIKey=GBMABZYFIUYWPG-PKVFBNEKSA-N
Formula
C33H43NO10
Mass
613.704
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Diterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Aconitane-type diterpenoid alkaloids
Alternative Parents
Quinolidines Benzoic acid esters Alkaloids and derivatives Benzoyl derivatives Azepanes Piperidines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Tertiary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - Benzoate ester - Quinolidine - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Azepane - Monocyclic benzene moiety - Benzenoid - Piperidine - Dicarboxylic acid or derivatives - Cyclic alcohol - Tertiary carboxylic acid amide - Tertiary alcohol - Carboxylic acid ester - Carboxamide group - Ether - Carboxylic acid derivative - Dialkyl ether - Organoheterocyclic compound - Azacycle - Alcohol - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom.
External Descriptors
Not available