Compound Identification
SMILES
CCN1CC2(COC(=O)C3=CC=CC=C3NC(=O)CCC(O)=O)CCC(OC)C34C5CC6C(OC)C5C(CC6OC)(OC)C(O)(C(OC)C23)C14
InChIKey
InChIKey=PFBAICRBYGSZFK-UHFFFAOYSA-N
Formula
C37H52N2O11
Mass
700.826
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
Not available
Direct Parent
Aconitane-type diterpenoid alkaloids
Alternative Parents
Acylaminobenzoic acid and derivatives Benzoic acid esters Quinolidines Anilides Alkaloids and derivatives N-arylamides Benzoyl derivatives Azepanes Piperidines Fatty amides Dicarboxylic acids and derivatives Vinylogous amides Tertiary alcohols 1,2-aminoalcohols Trialkylamines Amino acids Cyclic alcohols and derivatives Carboxylic acid esters Secondary carboxylic acid amides 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 - Benzoate ester - Quinolidine - Benzoic acid or derivatives - Alkaloid or derivatives - Anilide - Benzoyl - N-arylamide - Azepane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty amide - Piperidine - Benzenoid - Fatty acyl - Cyclic alcohol - Vinylogous amide - Tertiary alcohol - Carboxamide group - Carboxylic acid ester - Amino acid - 1,2-aminoalcohol - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Carboxylic acid - Ether - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen 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