NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundChamaejasmine
NPACT-IdNPACT00413
IUPAC-
Synonyms-
PubChem Id390362
ClassFlavonoid
In-vitro anticancer activity 10 cancer cell lines
In-Vivo anticancer activity No
TargetsTUBB3 |   All | 
Properties Physical   Elemental  Topological
InChi KeyRNQBLQALVMHBKH-UHFFFAOYSA-N
InChi1S/C30H22O10/c31-15-5-1-13(2-6-15)29-25(27(37)23-19(35)9-17(33)11-21(23)39-29)26-28(38)24-20(36)10-18(34)12-22(24)40-30(26)14-3-7-16(32)8-4-14/h1-12,25-26,29-36H
SMILESO1[C@H]([C@H]([C@H]2[C@@H](Oc3c(C2=O)c(O)cc(O)c3)c2ccc(O)cc2)C(=O)c2c1cc(O)cc2O)c1ccc(O)cc1
SMART[H]OC1=C([H])C([H])=C(C([H])=C1[H])[C@]1([H])OC2=C([H])C(O[H])=C([H])C(O[H])=C2C(=O)[C@@]1([H])[C@]1([H])C(=O)C2=C(O[H])C([H])=C(O[H])C([H])=C2O[C@@]1([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C511440
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

 






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