Compound Identification
SMILES
CCN1C[C@@]2(C)CC[C@H](OC)[C@@]34[C@@H]2[C@H](OC(C)=O)[C@@]2(OCO[C@]22C[C@H](OC)[C@H]5C[C@@]3(O)[C@@H]2[C@H]5OC)[C@@H]14
InChIKey
InChIKey=DTTPWCNKTMQMTE-DXAJCQFLSA-N
Formula
C27H41NO8
Mass
507.624
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Diterpenoids
-
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
Quinolidines Alkaloids and derivatives Azepanes Piperidines Tertiary alcohols 1,3-dioxolanes Trialkylamines Cyclic alcohols and derivatives Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - Quinolidine - Alkaloid or derivatives - Azepane - Piperidine - Tertiary alcohol - Cyclic alcohol - Meta-dioxolane - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aliphatic 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