NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundeurycomanone
NPACT-IdNPACT01202
IUPAC-
SynonymsPasakbumin-A;Picrasa-3,13(21)-diene-2,16-dione, 11,2O-epoxy-1,11,12,14,15-pentahydroxy-, (1-beta,11-beta,12-alpha,15-beta)-, dihydrate;
PubChem Id3069398
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsANXA1 | BAX | BCL2 | CYCS | ERP29 | HNRNPA2B1 | PHB | TP53 |   All | 
Properties Physical   Elemental  Topological
InChi KeyUCUWZJWAQQRCOR-HVKQXNTCSA-N
InChi1S/C20H24O9/c1-7-4-10(21)13(23)17(3)9(7)5-11-18-6-28-20(27,16(17)18)12(22)8(2)19(18,26)14(24)15(25)29-11/h4,9,11-14,16,22-24,26-27H,2,5-6H2,1,3H3/t9-,11+,12+,13+,14-,16+,17+,18?,19-,20+/m0/s1
SMILESo1c2c3oc(=O)ccc3ccc2cc1
SMART[H]C1=C([H])C2=C(O1)C1=C(C([H])=C2[H])C([H])=C([H])C(=O)O1
CAS No.84633-29-4
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C506425
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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