Name | aesculin |
---|---|
PubChem ID | 5281417 |
Structure | |
Bioactivity | |
ChEMBL_ID | CHEMBL482581 |
canonical_SMILES | C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O |
Isomeric_SMILES | C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
Known_targets | |
SEA_Predictions | P31639,P13866,Q9HAS3,P11387,P14679,P01111,P07237,P56470,O00214,P60568,O43570,P05230,Q16790,P43166,O14980,P09038,Q8N1Q1,P17931,P15291,O00182,Q9ULX7,P07451,P32320,Q15391,P15692,P22748,P00915,Q9NUW8,P01112,Q9NY91,Q8WTZ4,P35218,Q9GZQ4,P00918,P47989,P23280,P09382,P09923,O75164,Q15077,P11021,LGALS7B,P15121,P63316,P19429,P45379 |
HitPickv2_Predictions | |
SWISS Predictions |
Name | aesculin |
---|---|
PubChem ID | 5281417 |
Structure | |
Bioactivity | |
ChEMBL_ID | CHEMBL482581 |
canonical_SMILES | C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O |
Isomeric_SMILES | C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
ChEMBL_ID | |
SEA ChEMBL_ID | CHEMBL3884,CHEMBL4979,CHEMBL5707,CHEMBL1781,CHEMBL1973,CHEMBL2079845,CHEMBL5422,CHEMBL1671608,CHEMBL5475,CHEMBL5880,CHEMBL3242,CHEMBL2120,CHEMBL3594,CHEMBL2326,CHEMBL5661,CHEMBL3107,CHEMBL3912,CHEMBL4531,CHEMBL4384,CHEMBL5474,CHEMBL3510,CHEMBL2885,CHEMBL4502,CHEMBL4518,CHEMBL1783,CHEMBL3729,CHEMBL261,CHEMBL1075138,CHEMBL2167,CHEMBL1770047,CHEMBL4789,CHEMBL1075144,CHEMBL205,CHEMBL1929,CHEMBL3025,CHEMBL4915,CHEMBL5573,CHEMBL5896,CHEMBL4714,CHEMBL1781865,CHEMBL1900,CHEMBL2095202,CHEMBL2095202,CHEMBL2095202 |
HitPickv_chamble_ID | |
SWISS_Target_chamble ID |