Compound Identification
SMILES
CCN1C[C@]2(COC(=O)C3=CC=CC=C3NC(=O)CCC(N)=O)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)C14
InChIKey
InChIKey=ZBALYAJAWGGUCX-DPXOICMOSA-N
Formula
C36H51N3O10
Mass
685.815
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
-
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 amides Piperidines Vinylogous amides Tertiary alcohols 1,2-aminoalcohols 1,2-diols Secondary carboxylic acid amides Amino acids and derivatives Cyclic alcohols and derivatives Carboxylic acid esters Trialkylamines Primary carboxylic acid amides Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - Acylaminobenzoic acid or derivatives - Quinolidine - Benzoate ester - Anilide - Alkaloid or derivatives - Benzoic acid or derivatives - Benzoyl - N-arylamide - Azepane - Fatty amide - Fatty acyl - Monocyclic benzene moiety - Piperidine - Benzenoid - Cyclic alcohol - Vinylogous amide - Tertiary alcohol - Carboxylic acid ester - Secondary carboxylic acid amide - Primary carboxylic acid amide - 1,2-diol - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Alcohol - Amine - Organopnictogen 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