Rhynchophylline

Properties Image MNX_ID MNXM108552 reference chebi:70069 formula C22H28N2O4 global charge 0 mol weight 384.476 InChIKey DAXYUDFNWXHGBE-KAXDATADSA-N InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22+/m0/s1 SMILES CC[C@H]1CN2CC[C@]3(C(=O)NC4=C3C=CC=C4)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC MNX internals InChI (mnx) InChI=1/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22+/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:14]1[CH2:12][N:24]2[CH2:10][CH2:9][C@@:22]3([C:17]4=[CH:7][CH:5]=[CH:6][CH:8]=[C:18]4[N:23]=[C:21]3[OH:26])[C@@H:19]2[CH2:11][C@@H:15]1/[C:16](=[CH:13]\[O:27][CH3:2])[C:20](=[O:25])[O:28][CH3:3]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0