Compound | 3,8-dihydroxy-9-methoxypterocarpan |
NPACT-Id | NPACT01076 |
IUPAC | - |
Synonyms | 3,9-Dihydroxy-8-methoxypterocarpan;8-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol; |
PubChem Id | 5318889 |
Class | Flavonoid |
In-vitro anticancer activity | 3 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | NYGZYUAVZPIKBZ-UHFFFAOYSA-N |
InChi | 1S/C16H14O5/c1-19-15-5-10-11-7-20-13-4-8(17)2-3-9(13)16(11)21-14(10)6-12(15)18/h2-6,11,16-18H,7H2,1H3 |
SMILES | O1C2C(c3c1cc(O)c(OC)c3)COc1c2ccc(O)c1 |
SMART | [H]OC1=C([H])C2=C(C([H])=C1[H])[C@@]1([H])OC3=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C3[C@@]1([H])C([H])([H])O2 |
CAS No. | - |
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Structure Download |
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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 | Yes |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | Yes |
Similarity Search | Human metabolite database | FDA approved drugs |