Compound Identification
SMILES
[99Tc].C[C@]12C[C@@H](OC(=O)CSCC(N)C(O)=O)C3C(CC[C@]4(O)C[C@H](C[C@@H](O)[C@]34CO)OC(=O)CSCC(N)C(O)=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
InChIKey
InChIKey=USNQEBBKUIPSHA-KJOWSYRFSA-N
Formula
C33H48N2O14S2Tc
Mass
859.77
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
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Subclass
Steroid lactones
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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
Steroid esters 14-hydroxysteroids 1-hydroxysteroids Pentacarboxylic acids and derivatives Cysteine and derivatives Alpha amino acids Butenolides Tertiary alcohols Enoate esters Secondary alcohols Lactones Cyclic alcohols and derivatives Amino acids Sulfenyl compounds Oxacyclic compounds Dialkylthioethers Carboxylic acids Primary alcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Cardanolide-skeleton - Steroid ester - 19-hydroxysteroid - 1-hydroxysteroid - Hydroxysteroid - 5-hydroxysteroid - 14-hydroxysteroid - Pentacarboxylic acid or derivatives - Cysteine or derivatives - Alpha-amino acid or derivatives - Alpha-amino acid - 2-furanone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Dihydrofuran - Cyclic alcohol - Amino acid - Secondary alcohol - Lactone - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alcohol - 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