Compound Identification
SMILES
CCN1C[C@]2(COC(=O)C3=CC=CC=C3NC(=O)CCC(=O)OC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14
InChIKey
InChIKey=SVMCGAKQNRLCHV-VSNJHZSNSA-N
Formula
C37H52N2O11
Mass
700.826
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
Acylaminobenzoic acid and derivatives Benzoic acid esters Quinolidines Anilides Alkaloids and derivatives Benzoyl derivatives N-arylamides Azepanes Fatty acid methyl esters Piperidines Dicarboxylic acids and derivatives Fatty amides Vinylogous amides Tertiary alcohols Methyl esters 1,2-aminoalcohols Trialkylamines Cyclic alcohols and derivatives Amino acids and derivatives Secondary carboxylic acid amides 1,2-diols Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - Acylaminobenzoic acid or derivatives - Quinolidine - Benzoate ester - Alkaloid or derivatives - Anilide - Benzoic acid or derivatives - Benzoyl - N-arylamide - Fatty acid ester - Azepane - Fatty acid methyl ester - Piperidine - Dicarboxylic acid or derivatives - Fatty acyl - Fatty amide - Benzenoid - Monocyclic benzene moiety - Cyclic alcohol - Vinylogous amide - Methyl ester - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - 1,2-diol - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - 1,2-aminoalcohol - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Dialkyl ether - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Amine - Organonitrogen compound - Alcohol - 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