Compound | 5,6-dimethoxy-1-indanone |
NPACT-Id | NPACT00168 |
IUPAC | 5,6-dimethoxy-2,3-dihydroinden-1-one |
Synonyms | 5,6-dimethoxyindan-1-on; 5,6-dimethoxy-2,3-dihydro-1H-inden-1-one; 5,6-Dimethoxy-indan-1-one |
PubChem Id | 75018 |
Class | Polycyclic aromatic natural products |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | IHMQOBPGHZFGLC-UHFFFAOYSA-N |
InChi | 1S/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H3 |
SMILES | O(c1cc2CCC(=O)c2cc1OC)C |
SMART | [H]C1=C2C(=O)C([H])([H])C([H])([H])C2=C([H])C(OC([H])([H])[H])=C1OC([H])([H])[H] |
CAS No. | 2107-69-9 |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | - |
HIT | - |
NCI-60 GI50 data | - |
Suppliers | AAA Chemistry, ABBLIS Chemicals, ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, ChemExper Chemical
Directory, ChemFrog, ChemMol, FINETECH, ForeChem, Hangzhou APIChem Technology, Hangzhou Trylead Chemical Technology, HDH Pharma, IS Chemical
Technology, Jamson Pharmachem Technology, MolPort, Nantong Baihua Bio-Pharmaceutical Co., Ltd, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Vitas-M
Laboratory, ZINC, |
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 |