General Property |
Molceule ID (DB) | EGIN0000596 |
Inhibitor Class | Naphtho-furo-quinone |
Molecule Name in Refrence Article | 3 compound |
IUPAC Name | methyl (2R,11R)-20-hydroxy-3,10-dioxo-12-oxapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{14,19}]henicosa-1(13),4,6,8,14(19),15,17,20-octaene-21-carboxylate |
Formula | C22H14O6 |
Mass | 374.343 |
Exact Mass | 374.0790382 |
Composition | C (70.59%), H (3.77%), O (25.64%) |
Atom Count | 42 |
PI | 0.46 |
Smiles | c12c(cccc1)C(=O)[C@H]1[C@H](C2=O)c2c(O1)c1c(c(c2C(=O)OC)O)cccc1 |
InChI | 1S/C22H14O6/c1-27-22(26)16-14-15-17(23)10-6-2-3-7-11(10)19(25)21(15)28-20(14)13-9-5-4-8-12(13)18(16)
24/h2-9,15,21,24H,1H3/t15-,21+/m0/s1 |
InChIKey | YTRFQLNEBQUBAB-YCRPNKLZSA-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 | 16321529 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | PDGFR beta | FGFR1 | VEGFR2 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |