Compound Identification
SMILES
CCC1=CC(=CNC1N)C1CC(CNC)C2(OC(C(O)C(O)C2O)C(=O)OC2OC(C(O)C(O)C2O)C(O)=O)OC2=CC3=C(C(=O)C=C(O3)C3=CC(CCO)=C(O)C(O)=C3)C(O)=C12
InChIKey
InChIKey=GJKKADBUTHCEDM-UHFFFAOYSA-N
Formula
C41H49N3O19
Mass
887.845
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
Diterpenoids
Alternative Parents
5-hydroxyflavonoids 4'-hydroxyflavonoids 3'-hydroxyflavonoids Fatty acyl glycosides of mono- and disaccharides O-glucuronides Alkyl glycosides Chromones C-glycosyl compounds Pyranones and derivatives Oxepanes Ketals Fatty acid esters Dihydropyridines Beta hydroxy acids and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Monosaccharides Dicarboxylic acids and derivatives Beta-hydroxy ketones Benzene and substituted derivatives Alpha-branched alpha,beta-unsaturated ketones Vinylogous acids Heteroaromatic compounds Enones Acryloyl compounds Secondary alcohols Carboxylic acid esters Amino acids Polyols Oxacyclic compounds Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diterpenoid - Hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - 3'-hydroxyflavonoid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - Glycosyl compound - Chromone - C-glycosyl compound - 1-benzopyran - Benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Ketal - Pyranone - Phenol - Oxepane - Fatty acid ester - Dihydropyridine - Beta-hydroxy acid - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Pyran - Oxane - Monosaccharide - Hydroxy acid - Hydropyridine - Dicarboxylic acid or derivatives - Beta-hydroxy ketone - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Amino acid - Secondary alcohol - Ketone - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Polyol - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
External Descriptors
Not available