General Property |
Molceule ID (DB) | EGIN0004135 |
Inhibitor Class | Homo-isoflavonoids |
Molecule Name in Refrence Article | SAPPANENE |
IUPAC Name | 3-[(4-hydroxyphenyl)methyl]-2H-chromen-7-ol |
Formula | C16H14O3 |
Mass | 254.2806 |
Exact Mass | 254.0942943 |
Composition | C (75.57%), H (5.55%), O (18.88%) |
Atom Count | 33 |
PI | 2.11 |
Smiles | c12cc(ccc1C=C(CO2)Cc1ccc(cc1)O)O |
InChI | 1S/C16H14O3/c17-14-4-1-11(2-5-14)7-12-8-13-3-6-15(18)9-16(13)19-10-12/h1-6,8-9,17-18H,7,10H2 |
InChIKey | JLTAVGKKSZDLNZ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004135.png) | Structure Backbone | ![](./frame/f_EGIN0004135.png) |
|
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-kit | KDR | FGFR1 | ALL |
Pub Chem Link |
-
|
Drug Bank Link | - |
ChemSpider Link | 24699250 |
ChEMBL Link | CHEMBL477559 |