General Property |
Molceule ID (DB) | EGIN0004140 |
Inhibitor Class | Homo-isoflavonoids |
Molecule Name in Refrence Article | ISOHEMATOXYLIN |
IUPAC Name | (1S,10S)-8-oxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2,4,6,12,14,16-hexaene-5,6,10,15,16-pentol |
Formula | C16H14O6 |
Mass | 302.2788 |
Exact Mass | 302.0790382 |
Composition | C (63.57%), H (4.67%), O (31.76%) |
Atom Count | 36 |
PI | 2.81 |
Smiles | c12c(c(c(cc1)O)O)[C@H]1[C@@](C2)(COc2c1ccc(c2O)O)O |
InChI | 1S/C16H14O6/c17-9-3-1-7-5-16(21)6-22-15-8(2-4-10(18)14(15)20)12(16)11(7)13(9)19/h1-4,12,17-21H,5-6H2
/t12-,16+/m0/s1 |
InChIKey | NQLVZUJHUSTZEF-BLLLJJGKSA-N |
2D Structure | | Structure Backbone | |
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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 | FGFR2 | c-kit | KDR | c-Src | c-Met | FGFR1 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 24687324 |
ChEMBL Link | CHEMBL447506 |