General Property |
Molceule ID (DB) | EGIN0004139 |
Inhibitor Class | Homo-isoflavonoids |
Molecule Name in Refrence Article | 9 compound |
IUPAC Name | (1S,9R,17R)-9,13-dihydroxy-17-methoxy-11-oxatetracyclo[7.7.1.0^{1,12}.0^{2,7}]heptadeca-2,4,6,12,15-pentaen-14-one |
Formula | C17H16O5 |
Mass | 300.3059 |
Exact Mass | 300.0997736 |
Composition | C (67.99%), H (5.37%), O (26.64%) |
Atom Count | 38 |
PI | 2.99 |
Smiles | c12ccccc1C[C@]1(COC3=C(C(=O)C=C[C@@]23[C@H]1OC)O)O |
InChI | 1S/C17H16O5/c1-21-15-16(20)8-10-4-2-3-5-11(10)17(15)7-6-12(18)13(19)14(17)22-9-16/h2-7,15,19-20H,8-9
H2,1H3/t15-,16+,17+/m0/s1 |
InChIKey | FJQJLWLKHFWQBX-GVDBMIGSSA-N |
2D Structure | ![](./image/EGIN0004139.png) | Structure Backbone | ![](./frame/f_EGIN0004139.png) |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 18610999 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | c-Src | c-kit | KDR | FGFR2 | FGFR1 | c-Met | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |