General Property |
Molceule ID (DB) | EGIN0004146 |
Inhibitor Class | Homo-isoflavonoids |
Molecule Name in Refrence Article | PROTOSAPPANIN A |
IUPAC Name | 5,14,15-trihydroxy-8-oxatricyclo[10.4.0.0^{2,7}]hexadeca-1(16),2(7),3,5,12,14-hexaen-10-one |
Formula | C15H12O5 |
Mass | 272.2528 |
Exact Mass | 272.0684735 |
Composition | C (66.17%), H (4.44%), O (29.38%) |
Atom Count | 32 |
PI | 1.97 |
Smiles | c1c(ccc2c1OCC(=O)Cc1c2cc(c(c1)O)O)O |
InChI | 1S/C15H12O5/c16-9-1-2-11-12-6-14(19)13(18)4-8(12)3-10(17)7-20-15(11)5-9/h1-2,4-6,16,18-19H,3,7H2 |
InChIKey | MUKYVRVYBBYJSI-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004146.png) | Structure Backbone | ![](./frame/f_EGIN0004146.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 | KDR | FGFR1 | ALL |
Pub Chem Link |
128001
|
Drug Bank Link | - |
ChemSpider Link | 113511 |
ChEMBL Link | CHEMBL447427 |