Ligand |
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| Ligand Name: parthenolide | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1084 | PubChem: 5420807 | |
Synonym(s):
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| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: C1C/C=C(/C)CC[C@@H](C(C(O2)=O)=C)[C@H]2[C@H](O3)[C@]13C | ||
| Standard InChI: InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13-,15-/m0/s1 | ||
| Molecular Formula: C15H20O3 | Mol. Weight: 248.14125 | logP: 2.762 |
| HBD: 0 | HBA: 3 | |
| #Rotatable Bonds: 0 | TPSA: 38.83 | |