NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
CompoundP-hydroxymethoxybenzobijuglone
NPACT-IdNPACT00863
IUPAC-
Synonyms-
PubChem Id-
ClassOrganic chemical
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsBAX | BCL2 | CASP3 | CASP8 |   All | 
Properties Physical   Elemental  Topological
InChi KeyPCWFPMDNNIKYSJ-UHFFFAOYSA-N
InChi1S/C23H12O8/c1-31-23-16-14(20(28)12-8(18(16)26)4-2-6-10(12)24)22(30)15-17(23)19(27)9-5-3-7-11(25)13(9)21(15)29/h2-7,24-25,30H,1H3
SMILESc1ccc(c2c1c(=O)c1c(c2=O)c(c2c(c1OC)c(=O)c1c(c2=O)c(ccc1)O)O)O
SMART[#6]OC1=C2C(=O)C3=C(C(O)=CC=C3)C(=O)C2=C(O)C2=C1C(=O)C1=C(C(O)=CC=C1)C2=O
CAS No.936565-05-8
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C526331
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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