Molecule

Uscharin; 3'',4''-Dihydro, 3''-oxo

AlkaPlorer ID: AK317236

Synonym: 2''-Oxovoruscharin

IUPAC Name: 10',22'-dihydroxy-7',18'-dimethyl-4-oxo-19'-(5-oxo-2H-furan-3-yl)spiro[1,3-thiazolidine-2,9'-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane]-14'-carbaldehyde

Structure

SMILES: CC1CC2(N=C(O)CS2)C2(O)OC3CC4(C=O)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)CCC54O)CC3OC2O1

InChI: InChI=1S/C31H41NO9S/c1-16-11-30(32-24(34)14-42-30)31(37)26(39-16)40-22-10-18-3-4-21-20(28(18,15-33)12-23(22)41-31)5-7-27(2)19(6-8-29(21,27)36)17-9-25(35)38-13-17/h9,15-16,18-23,26,36-37H,3-8,10-14H2,1-2H3,(H,32,34)

InChIKey: KLHRTBILXJZHSA-UHFFFAOYSA-N

Reference

Identification of a Novel Cardenolide (2‘ ‘-Oxovoruscharin) from Calotropis procera and the Hemisynthesis of Novel Derivatives Displaying Potent in Vitro Antitumor Activities and High in Vivo Tolerance: Structure−Activity Relationship Analyses

PubChem CID: 11758338

LOTUS: LTS0200986

COCONUT: CNP0249122.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Calotropis procera	Calotropis	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 603.7340000000005

TPSA？: 144.11

MolLogP？: 3.039400000000001

Number of H-Donors: 3

Number of H-Acceptors: 10

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi