General Property |
Molceule ID (DB) | EGIN0004118 |
Inhibitor Class | Alternaria(Extract) |
Molecule Name in Refrence Article | 2 compound |
IUPAC Name | {3,7-dihydroxy-1-methyl-6-oxo-6H-benzo[c]chromen-9-yl}oxidanesulfonic acid |
Formula | C14H10O8S |
Mass | 338.289 |
Exact Mass | 338.009638 |
Composition | C (49.71%), H (2.98%), O (37.84%), S (9.48%) |
Atom Count | 33 |
PI | No isoelectric point. |
Smiles | c1(cc(c2c(c1)oc(=O)c1c2cc(cc1O)OS(=O)(=O)O)C)O |
InChI | 1S/C14H10O8S/c1-6-2-7(15)3-11-12(6)9-4-8(22-23(18,19)20)5-10(16)13(9)14(17)21-11/h2-5,15-16H,1H3,(H,
18,19,20) |
InChIKey | IOBDCMVQCAWFQQ-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 | EPHB4 | FAK | FLT3 | IGF1R | InsR | MET | PDGFR beta | PLK1 | SAK | SRC | TIE2 | VEGFR2 | VEGFR3 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 24699951 |
ChEMBL Link | CHEMBL483525 |