Compound Identification
SMILES
CCN1C[C@]2(COC(=O)C3=CC=CC=C3NC(=O)CC(C)C(O)=O)CCC(OC)C34C5CC6C(OC)C5[C@](O)(C[C@@H]6OC)[C@](O)(C(OC)C23)C14
InChIKey
InChIKey=GKBQSASKFHKAHI-MROJAXEHSA-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 Quinolidines Benzoic acid esters Anilides Alkaloids and derivatives N-arylamides Benzoyl derivatives Azepanes Piperidines Fatty amides Dicarboxylic acids and derivatives Vinylogous amides Tertiary alcohols Trialkylamines Secondary carboxylic acid amides Cyclic alcohols and derivatives Carboxylic acid esters Amino acids 1,2-diols 1,2-aminoalcohols Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
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 - N-arylamide - Benzoyl - Azepane - Fatty acyl - Benzenoid - Piperidine - Fatty amide - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Vinylogous amide - Tertiary alcohol - Cyclic alcohol - Amino acid - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - 1,2-diol - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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