NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound4'-O-methylellagic acid 3-(2'',3''-di-O-acetyl)-alpha-L-rhamnoside
NPACT-IdNPACT00163
IUPAC-
Synonyms[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 3-[(2,3-di-O-acetyl-6-deoxyhexopyranosyl)oxy]-2,8-dihydroxy-7-methoxy-2,8-dihydroxy-7-methoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-3-yl 2,3-di-O-acetyl-6-deoxyhexopyranoside; Acetic acid 3-acetoxy-2-(2,8-dihydroxy-7-methoxy-5,10-dioxo-5,10-dihydro-chromeno[5,4,3-cde]chromen-3-yloxy)-5-hydroxy-6-methyl-tetrahydro-pyran-4-yl ester
PubChem Id5323519
ClassBenzopyranoids
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKNGJTKQJDRESAB-MYFGMOGUSA-N
InChi1S/C25H22O14/c1-7-16(29)21(35-8(2)26)22(36-9(3)27)25(34-7)39-18-12(28)5-10-15-14-11(24(32)38-20(15)18)6-13(33-4)17(30)19(14)37-23(10)31/h5-7,16,21-22,25,28-30H,1-4H3/t7-,16+,21+,22-,25-/m1/s1
SMILESO1[C@@H]([C@H](O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1Oc1c2oc(=O)c3c4c2c(cc1O)c(=O)oc4c(O)c(OC)c3)C
SMART[H]OC1=C(O[C@@]2([H])O[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2([H])OC(=O)C([H])([H])[H])C2=C3C(=C1[H])C(=O)OC1=C3C(=C([H])C(OC([H])([H])[H])=C1O[H])C(=O)O2
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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