Compound Identification
SMILES
CCN1C[C@]2(COC(=O)C3=CC=CC=C3N3C(=O)C(C)[C@@H](C3=O)C3=CC=CC=C3)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14
InChIKey
InChIKey=CWUXIRDQYHRHHP-XCLXVGNTSA-N
Formula
C43H54N2O10
Mass
758.909
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 Phenylpyrrolidines Quinolidines Benzoic acid esters Alkaloids and derivatives Benzoyl derivatives Azepanes Pyrrolidine-2-ones Piperidines N-substituted carboxylic acid imides Tertiary alcohols Pyrroles Dicarboximides Trialkylamines Cyclic alcohols and derivatives Carboxylic acid esters 1,2-diols Amino acids and derivatives 1,2-aminoalcohols Lactams Dialkyl ethers Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - Acylaminobenzoic acid or derivatives - 1-phenylpyrrolidine - 3-phenylpyrrolidine - Benzoate ester - Quinolidine - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Azepane - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyrrolidone - 2-pyrrolidone - Carboxylic acid imide - Cyclic alcohol - Dicarboximide - Pyrrole - Pyrrolidine - Tertiary alcohol - Amino acid or derivatives - 1,2-diol - Lactam - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Azacycle - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Alcohol - Organic oxygen 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