Compound Identification
SMILES
COc1ccc(cc1)C(=O)OC1C(CC23C4CC5C(=C)CC44CC(=O)C2C1(C)CN(C)C3C4C5=O)OC(C)=O
InChIKey
InChIKey=ZYAZOLHJSNQEDA-UHFFFAOYSA-N
Formula
C31H35NO7
Mass
533.621
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
Villanovane, atisane, trachylobane or helvifulvane diterpenoids - Atisane diterpenoids
Direct Parent
Hetidine-type diterpenoid alkaloids
Alternative Parents
P-methoxybenzoic acids and derivatives Benzoic acid esters Alkaloids and derivatives Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Piperidines Dicarboxylic acids and derivatives Trialkylamines Ketones Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hetidine-type diterpenoid alkaloid - P-methoxybenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Alkaloid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Piperidine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Ether - Carbonyl group - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hetidine-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hetidine skeleton, which is a hexacyclic compound with an additional C-20-C-14 bond in the atisine-type.
External Descriptors
Not available