NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundVismione B
NPACT-IdNPACT01377
IUPAC-
Synonyms-
PubChem Id10247551
ClassPolycyclic aromatic natural products
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRUKXXSDGTORZFO-UHFFFAOYSA-N
InChi1S/C21H22O5/c1-20(2)6-5-13-15(25-4)8-11-7-12-9-21(3,24)10-14(22)16(12)18(23)17(11)19(13)26-20/h5-8,23-24H,9-10H2,1-4H3
SMILESOC1(Cc2c(C(=O)C1)c(O)c1c(c2)cc(OC)c2c1OC(C=C2)(C)C)C
SMART[H]OC1=C2C(C([H])=C(OC([H])([H])[H])C3=C2O[C@](C([H])=C3[H])(C([H])([H])[H])C([H])([H])[H])=C([H])C2=C1C(=O)C([H])([H])[C@@](O[H])(C([H])([H])[H])C2([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C455128
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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