Compound Identification
SMILES
CCN1CC2(COC)CCC(OC)C34C5CC6C(OC(=O)\C=C\C7=CC(OC)=C(OC)C=C7)C5C(O)(CC6OC)C(CC23)C14
InChIKey
InChIKey=WLRWZOWXGYYWOQ-PKNBQFBNSA-N
Formula
C35H49NO8
Mass
611.776
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
Cinnamic acid esters Coumaric acids and derivatives Quinolidines Dimethoxybenzenes Alkaloids and derivatives Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Azepanes Fatty acid esters Piperidines Tertiary alcohols Enoate esters Cyclic alcohols and derivatives Amino acids and derivatives Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Quinolidine - Dimethoxybenzene - O-dimethoxybenzene - Alkaloid or derivatives - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Azepane - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Piperidine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Alcohol - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organic oxide - 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