| Compound | Neocalyxins B |
| NPACT-Id | NPACT00805 |
| IUPAC | naphthalene-1,4-dione |
| Synonyms | 1,4-NAPHTHOQUINONE;1,4-Naphthalenedione;NAPHTHOQUINONE;p-Naphthoquinone;alpha-Naphthoquinone;1,4-Naphthylquinone;naphthalene-1,4-dione;a-naphthoquinone;1,4-Dihydro-1,4-diketonaphthalene;1,4-diketonaphthalene;1,4-NAPHTHOQUINOLINE |
| PubChem Id | 8530 |
| Class | Flavonoid |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | FRASJONUBLZVQX-UHFFFAOYSA-N |
| InChi | 1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H |
| SMILES | O=C1c2c(C(=O)C=C1)cccc2 |
|
SMART | [H]C1=C([H])C([H])=C2C(=O)C([H])=C([H])C(=O)C2=C1[H] |
| CAS No. | 130-15-4 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, AKos Consulting & Solutions, Ambinter, ChemExper Chemical Directory, ChemFrog, Chemical Synthesis
Database, ChemMol, IS Chemical Technology, Jamson Pharmachem Technology, MolPort, MP Biomedicals, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo
Chemical Industry), Vitas-M Laboratory, ZINC, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |