General Property |
Molceule ID (DB) | EGIN0002636 |
Inhibitor Class | Amino-salicylate |
Molecule Name in Refrence Article | LAVENDUSTIN A |
IUPAC Name | 5-{[(2,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino}-2-hydroxybenzoic acid |
Formula | C21H19NO6 |
Mass | 381.3787 |
Exact Mass | 381.1212373 |
Composition | C (66.13%), H (5.02%), N (3.67%), O (25.17%) |
Atom Count | 47 |
PI | 2.59 |
Smiles | c1(cc(N(Cc2c(ccc(c2)O)O)Cc2c(O)cccc2)ccc1O)C(=O)O |
InChI | 1S/C21H19NO6/c23-16-6-8-19(25)14(9-16)12-22(11-13-3-1-2-4-18(13)24)15-5-7-20(26)17(10-15)21(27)28/h1
-10,23-26H,11-12H2,(H,27,28) |
InChIKey | ULTTYPMRMMDONC-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002636.png) | Structure Backbone | ![](./frame/f_EGIN0002636.png) |
|
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 | 7990108 | 8105084 | 16279804 | |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | p56lck | |
Pub Chem Link |
3894
|
Drug Bank Link | - |
ChemSpider Link | 3757 |
ChEMBL Link | CHEMBL103552 |