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CHEBI:176257 - Neferine
| Formula | C38H44N2O6 |
| Net Charge | 0 |
| Average Mass | 624.778 |
| Monoisotopic Mass | 624.31994 |
| SMILES | COc1ccc(C[C@@H]2c3cc(Oc4cc(C[C@@H]5c6cc(OC)c(OC)cc6CCN5C)ccc4O)c(OC)cc3CCN2C)cc1 |
| InChI | InChI=1S/C38H44N2O6/c1-39-15-14-27-21-36(44-5)38(23-30(27)31(39)17-24-7-10-28(42-3)11-8-24)46-34-19-25(9-12-33(34)41)18-32-29-22-37(45-6)35(43-4)20-26(29)13-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m1/s1 |
| InChIKey | MIBATSHDJRIUJK-ROJLCIKYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Neferine (CHEBI:176257) is a isoquinolines (CHEBI:24922) |
| IUPAC Name |
|---|
| 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol |