COVPDB

Ligand

Ligand Name: (-)-ZAMPANOLIDE
Ligand Type: non-polymer
Ligand ID: COVPDB1505	PubChem: 11454753
Synonym(s): zampanolide chembl582439 (2z,4e)-n-[(s)-[(1s,3e,7z,9e,13s,15e,17s)-7,15-dimethyl-19-methylidene-5,11-dioxo-12,21-dioxabicyclo[15.3.1]henicosa-3,7,9,15-tetraen-13-yl]-hydroxymethyl]hexa-2,4-dienamide show 2 synonym(s)
DrugBank: -	ChEMBL: CHEMBL582439
Canonical SMILES: C/C=C/C=C\C(=O)N[C@@H](O)[C@H](C/C(C)=C/[C@@H]12)OC(=O)/C=C/C=C(/C)CC(=O)/C=C/C[C@H](O1)CC(C2)=C
Standard InChI: InChI=1S/C29H37NO6/c1-5-6-7-13-27(32)30-29(34)26-19-22(4)18-25-17-21(3)16-24(35-25)12-9-11-23(31)15-20(2)10-8-14-28(33)36-26/h5-11,13-14,18,24-26,29,34H,3,12,15-17,19H2,1-2,4H3,(H,30,32)/b6-5+,11-9+,13-7-,14-8+,20-10-,22-18+/t24-,25-,26-,29-/m0/s1
Molecular Formula: C29H37NO6	Mol. Weight: 495.2621	logP: 4.3269
HBD: 2	HBA: 6
#Rotatable Bonds: 4	TPSA: 101.93