Molecule Info: ONO-3080573
Smiles:
COc1cc(cc(c1C)OC)[C@H]([C@@H](OC1Cc2c(C1)cccc2)COc1ccc(cc1)C1(CC1)C(=O)[O-])O
Netcharge:
-1
InChIKey:
FVESDCZDESZGHA-IMTVMGQHNA-M
InChI:
1/C31H34O7/c1-19-26(35-2)16-22(17-27(19)36-3)29(32)28(38-25-14-20-6-4-5-7-21(20)15-25)18-37-24-10-8-23(9-11-24)31(12-13-31)30(33)34/h4-11,16-17,25,28-29,32H,12-15,18H2,1-3H3,(H,33,34)/p-1/t28-,29+/m0/s1/fC31H33O7/q-1
InChIcol:
1
More information (from its Standard Form):
ONO-3080573
Complex structures in which this molecule appears :
Complex Structure ID: 185
References in which this molecule is mentioned:
Ismael Rodríguez-Espigares, Mariona Torrens-Fontanals, et al.. 2020. GPCRmd uncovers the dynamics of the 3D-GPCRome. Nature methods 17 (8). doi: 10.1038/s41592-020-0884-y.