COVPDB

Ligand

Ligand Name: OVALICIN
Ligand Type: non-polymer
Ligand ID: COVPDB1197	PubChem: 5289086
Synonym(s): 3,4-dihydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methyl-but-2-enyl) -oxiranyl]-cyclohexanone db04324 q27095142 (2s,3r,4r)-3,4-dihydroxy-2-methoxy-4-methyl-3-[(2s,3r)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexanone show 3 synonym(s)
DrugBank: DB04324	ChEMBL: CHEMBL1235035
Canonical SMILES: C[C@@]1(O)CCC(=O)[C@@H](OC)[C@]1(O)[C@@]2(C)O[C@@H]2CC=C(C)C
Standard InChI: InChI=1S/C16H26O5/c1-10(2)6-7-12-15(4,21-12)16(19)13(20-5)11(17)8-9-14(16,3)18/h6,12-13,18-19H,7-9H2,1-5H3/t12-,13-,14-,15+,16-/m1/s1
Molecular Formula: C16H26O5	Mol. Weight: 298.178	logP: 1.3602
HBD: 2	HBA: 5
#Rotatable Bonds: 4	TPSA: 79.29