Compound | Plumbagin |
NPACT-Id | NPACT00870 |
IUPAC | - |
Synonyms | 6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol |
PubChem Id | 10205 |
Class | Polycyclic aromatic natural products |
In-vitro anticancer activity | 3 cancer cell lines |
In-Vivo anticancer activity | Yes |
Targets | AKT1 | BCL2 | CASP3 | MTOR | NFKB1 | PIK3CA | All | |
Properties | Physical Elemental Topological |
InChi Key | VCMMXZQDRFWYSE-UHFFFAOYSA-N |
InChi | 1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3 |
SMILES | Oc1c2c(C(=O)C(=CC2=O)C)ccc1 |
SMART | [H]OC1=C([H])C([H])=C([H])C2=C1C(=O)C([H])=C(C2=O)C([H])([H])[H] |
CAS No. | 481-42-5 |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | 000481425 |
CTD | C014758 |
HIT | C0573 |
NCI-60 GI50 data | 481-42-5 |
Suppliers | ABI Chem, Amadis Chemical, Ambinter, ChemExper Chemical Directory, ChemFrog, ChemMol, MolPort, MP Biomedicals, R&D
Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Therapeutic Targets Database, TimTec, |
Drug-Likeliness Filters | Lipinski's rule of five | Yes |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |