NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundSophorastilbene A
NPACT-IdNPACT01501
IUPAC-
SynonymsCaraphenol A
PubChem Id484751
ClassSimple aromatic natural products
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyULEJGXIKBFHUOY-PIQPXYRBSA-N
InChi1S/C42H28O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-38,40-41,43-48H/t37-,38+,40+,41-/m1/s1
SMILESO1[C@H]([C@H]2c3c([C@@H]4[C@H](Oc5c4c(c4c6c2cc(O)cc6oc4c2ccc(O)cc2)cc(O)c5)c2ccc(O)cc2)cc(O)cc13)c1ccc(O)cc1
SMARTOC1=CC=C(C=C1)[C@@H]1OC2=C3[C@H]1C1=CC(O)=CC4=C1C(=C(O4)C1=CC=C(O)C=C1)C1=CC(O)=CC4=C1[C@@H]([C@H](O4)C1=CC=C(O)C=C1)C3=CC(O)=C2
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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