NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundDiosmin
NPACT-IdNPACT00511
IUPAC5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
SynonymsBarosmin; Diovenor; Flebosten; Venosmine; Daflon; Rioven; Tovene; Diosmin
PubChem Id5281613
ClassFlavonoid
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity Yes
TargetsODC1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyGZSOSUNBTXMUFQ-YFAPSIMESA-N
InChi1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
SMILESO1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc1cc2oc(cc(=O)c2c(O)c1)c1cc(O)c(OC)cc1)CO[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C
SMART[H]OC1=C(OC([H])([H])[H])C([H])=C([H])C(=C1[H])C1=C([H])C(=O)C2=C(O[H])C([H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]4([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])=C2O1
CAS No.520-27-4
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   D004145
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, ChemMol, MolPort, R&D Chemicals, Selleck Chemicals, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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