COVPDB

Ligand

Ligand Name: PIRONETIN
Ligand Type: non-polymer
Ligand ID: COVPDB1459	PubChem: 101054774
Synonym(s): q27467434 (5r)-3,4-dihydro-5beta-ethyl-6beta-[(2r,3s,4r,5s,7e)-2-hydroxy-3,5-dimethyl-4-methoxy-7-nonenyl]-5,6-dihydro-2h-pyran-2-one show 1 synonym(s)
DrugBank: -	ChEMBL: -
Canonical SMILES: CC[C@@H]1CCC(=O)O[C@@H]1C[C@@H](O)[C@H](C)[C@H](OC)[C@@H](C)C/C=C/C
Standard InChI: InChI=1S/C19H34O4/c1-6-8-9-13(3)19(22-5)14(4)16(20)12-17-15(7-2)10-11-18(21)23-17/h6,8,13-17,19-20H,7,9-12H2,1-5H3/b8-6+/t13-,14-,15+,16+,17+,19+/m0/s1
Molecular Formula: C19H34O4	Mol. Weight: 326.2457	logP: 3.7226
HBD: 1	HBA: 4
#Rotatable Bonds: 9	TPSA: 55.76