NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound(7R,8S,7'R,8'R)-(+)-7'-acetylpicropodophyllin
NPACT-IdNPACT01050
IUPAC-
Synonyms(5r,5ar,8as,9r)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl acetate;Picropodophyllin, acetate
PubChem Id233299
ClassLignans
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeySASVNKPCTLROPQ-RGXPITOMSA-N
InChi1S/C24H24O9/c1-11(25)33-22-14-8-17-16(31-10-32-17)7-13(14)20(21-15(22)9-30-24(21)26)12-5-18(27-2)23(29-4)19(6-12)28-3/h5-8,15,20-22H,9-10H2,1-4H3/t15-,20+,21+,22-/m0/s1
SMILESO1C[C@H]2[C@H]([C@@H](c3c([C@@H]2OC(=O)C)cc2OCOc2c3)c2cc(OC)c(OC)c(OC)c2)C1=O
SMART[H]C1=C2C(=C([H])C3=C1OC([H])([H])O3)[C@@]([H])(C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H])[C@]1([H])C(=O)OC([H])([H])[C@]1([H])[C@@]2([H])OC(=O)C([H])([H])[H]
CAS No.4898-57-1
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Kingston Chemistry, ZINC, 
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Veber filter   Yes
Muegge Filter   Yes
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