NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundGlabridin
NPACT-IdNPACT00623
IUPAC4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
Synonyms4-(3,4-Dihydro-8,8-dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-3-yl)-1,3-benzenediol;1,3-Benzenediol, 4-(3,4-dihydro-8,8-dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-3-yl)-, (R)-
PubChem Id124052
ClassFlavonoid
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsAKT1 | ITGAV | ITGB3 | MYLK | PTK2 | RHOA | SRC |   All | 
Properties Physical   Elemental  Topological
InChi KeyLBQIJVLKGVZRIW-ZDUSSCGKSA-N
InChi1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
SMILESO1C[C@H](Cc2c1c1c(OC(C=C1)(C)C)cc2)c1c(O)cc(O)cc1
SMART[H]OC1=C([H])C(O[H])=C(C([H])=C1[H])[C@]1([H])C([H])([H])OC2=C(C([H])=C([H])C3=C2C([H])=C([H])[C@@](O3)(C([H])([H])[H])C([H])([H])[H])C1([H])[H]
CAS No.59870-68-7
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C107601
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, ChemMol, IS Chemical Technology, 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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