Compound | P-hydroxymethoxybenzobijuglone |
NPACT-Id | NPACT00863 |
IUPAC | - |
Synonyms | - |
PubChem Id | - |
Class | Organic chemical |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | BAX | BCL2 | CASP3 | CASP8 | All | |
Properties | Physical Elemental Topological |
InChi Key | PCWFPMDNNIKYSJ-UHFFFAOYSA-N |
InChi | 1S/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 |
SMILES | c1ccc(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 Download |
|
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 Search | Human metabolite database | FDA approved drugs |