NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundSilvestrol
NPACT-IdNPACT00946
IUPACmethyl D824(1R,2R,3S,3aR,8bS)-6-[[(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
Synonyms-
PubChem Id11787114
ClassTerpenoids
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy Yes
TargetsBCL2 | birc5a | CCND1 | MCL1 | MYC |   All | 
Properties Physical   Elemental  Topological
InChi KeyGVKXFVCXBFGBCD-QKDMMWSPSA-N
InChi1S/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25-,26-,27-,29-,31-,32-,33+,34+/m1/s1
SMILESO1[C@@]2([C@@](O)([C@H](O)[C@@H]([C@H]2c2ccccc2)C(=O)OC)c2c1cc(O[C@@H]1O[C@H](CO[C@H]1OC)[C@H](O)CO)cc2OC)c1ccc(OC)cc1
SMART[H]OC([H])([H])[C@@]([H])(O[H])[C@]1([H])O[C@@]([H])(OC2=C([H])C(OC([H])([H])[H])=C3C(O[C@@]4(C5=C([H])C([H])=C(OC([H])([H])[H])C([H])=C5[H])[C@]([H])(C5=C([H])C([H])=C([H])C([H])=C5[H])[C@@]([H])(C(=O)OC([H])([H])[H])[C@@]([H])(O[H])[C@@]34O[H])=C2[H])[C@]([H])(OC([H])([H])[H])OC1([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C489897
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

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.