Compound Identification
SMILES
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCCCN(CCO)CCO)C1(O)CCC2C1=CC(=O)OC1
InChIKey
InChIKey=MKRWCAIQWFEWRD-UHFFFAOYSA-N
Formula
C30H48N2O7
Mass
548.721
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Steroid lactones
- Level 5 Cardenolides and derivatives
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Subclass
Steroid lactones
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Class
Steroids and steroid derivatives
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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 Butenolides Tertiary alcohols Enoate esters Trialkylamines Shiff bases Secondary alcohols 1,2-aminoalcohols Lactones Amino acids and derivatives Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cardanolide-skeleton - Hydroxysteroid - 3-hydroxysteroid - 5-hydroxysteroid - 14-hydroxysteroid - 2-furanone - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Dihydrofuran - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Lactone - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Shiff base - Aldimine - Alkanolamine - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Polyol - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxygen compound - Amine - Primary alcohol - Organopnictogen compound - Imine - Organooxygen compound - Organic oxide - Organonitrogen compound - Aliphatic 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