General Property |
Molceule ID (DB) | EGIN0004117 |
Inhibitor Class | Alternaria(Extract) |
Molecule Name in Refrence Article | ALTERNARIOL |
IUPAC Name | 3,7,9-trihydroxy-1-methyl-6H-benzo[c]chromen-6-one |
Formula | C14H10O5 |
Mass | 258.2262 |
Exact Mass | 258.0528234 |
Composition | C (65.12%), H (3.9%), O (30.98%) |
Atom Count | 29 |
PI | 1.77 |
Smiles | c1(=O)oc2c(c(cc(c2)O)C)c2c1c(cc(c2)O)O |
InChI | 1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3 |
InChIKey | CEBXXEKPIIDJHL-UHFFFAOYSA-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 | 18494522 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | ARK5 | Aurora A | Aurora B | B-RAF-VE | CDK2/CycA | CDK4/CycD1 | CK2 alpha1 | COT | FAK | FLT3 | IGF1R | InsR | MET | PDGFR beta | PLK1 | SAK | SRC | TIE2 | VEGFR2 | VEGFR3 | ALL |
Pub Chem Link |
5359485
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Drug Bank Link | - |
ChemSpider Link | 4514301 |
ChEMBL Link | CHEMBL519982 |