Compound Identification
SMILES
CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4C1[C@@]3([C@@H]1C[C@@]3(O)[C@H](OC(=O)C5=CC(OC)=C(OC)C=C5)[C@@H]1[C@]4(O)C[C@@H]3OC)[C@H](C[C@H]2O)OC
InChIKey
InChIKey=MSRNKBZGCDRCCC-RUAALXDTSA-N
Formula
C34H49NO11
Mass
647.762
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
P-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Quinolidines Benzoic acid esters Alkaloids and derivatives Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Fatty acid esters Azepanes Alkyl aryl ethers Piperidines Tertiary alcohols Enoate esters 1,3-aminoalcohols Trialkylamines Secondary alcohols Cyclic alcohols and derivatives Amino acids and derivatives Polyols Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - P-methoxybenzoic acid or derivatives - M-methoxybenzoic acid or derivatives - Quinolidine - Benzoate ester - Alkaloid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Anisole - Fatty acid ester - Azepane - Alkyl aryl ether - Fatty acyl - Benzenoid - Piperidine - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - 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