Compound Identification
SMILES
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCC3=CC=NC=C3)C1(O)CCC2C1=CC(=O)OC1
InChIKey
InChIKey=KHHOUARHSDWEKJ-UHFFFAOYSA-N
Formula
C29H38N2O5
Mass
494.632
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroid lactones
- Level 5 Cardenolides and derivatives
-
Subclass
Steroid lactones
-
Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroid lactones
Intermediate Tree Nodes
Not available
Direct Parent
Cardenolides and derivatives
Alternative Parents
14-hydroxysteroids 3-hydroxysteroids Pyridines and derivatives Butenolides Tertiary alcohols Enoate esters Heteroaromatic compounds Shiff bases Secondary alcohols Cyclic alcohols and derivatives Lactones Propargyl-type 1,3-dipolar organic compounds Polyols Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cardanolide-skeleton - 3-hydroxysteroid - Hydroxysteroid - 5-hydroxysteroid - 14-hydroxysteroid - 2-furanone - Pyridine - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Dihydrofuran - Heteroaromatic compound - Lactone - Carboxylic acid ester - Secondary alcohol - Shiff base - Aldimine - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Polyol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Imine - Alcohol - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cardenolides and derivatives. These are steroid lactones containing a furan-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.
External Descriptors
Not available