COVPDB

Ligand

Ligand Name: NOVOLACTONE
Ligand Type: non-polymer
Ligand ID: COVPDB201	PubChem: 146680908
Synonym(s): chebi:156497 13-ethenyl-5,6beta-dihydroxy-14alpha-methyl-3beta-3,15-epoxypodocarp-12-en-15-one (2as,2bs,3r,4as,5r,8as,8br,10as)-6-ethenyl-2b,3-dihydroxy-2a,5,8b-trimethyl-2a,2b,3,4,4a,5,8,8a,8b,9,10,10a-dodecahydro-2h-phenanthro[2,1-b]oxet-2-one show 2 synonym(s)
DrugBank: -	ChEMBL: -
Canonical SMILES: C1C=C(C=C)[C@H](C)[C@@H]([C@H]1[C@]23C)C[C@@H](O)[C@@]2(O)[C@]4(C)[C@H](CC3)OC4=O
Standard InChI: InChI=1S/C20H28O4/c1-5-12-6-7-14-13(11(12)2)10-15(21)20(23)18(14,3)9-8-16-19(20,4)17(22)24-16/h5-6,11,13-16,21,23H,1,7-10H2,2-4H3/t11-,13-,14-,15+,16-,18+,19+,20-/m0/s1
Molecular Formula: C20H28O4	Mol. Weight: 332.19876	logP: 2.5985
HBD: 2	HBA: 4
#Rotatable Bonds: 1	TPSA: 66.76