CHEBI:176257 - Neferine

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ChEBI Name Neferine
ChEBI ID CHEBI:176257
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C38H44N2O6
Net Charge 0
Average Mass 624.778
Monoisotopic Mass 624.31994
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
SMILES O(C=1C=C2[C@H](N(CCC2=CC1OC)C)CC3=CC=C(OC)C=C3)C=4C=C(C[C@H]5N(CCC=6C5=CC(OC)=C(OC)C6)C)C=CC4O
ChEBI Ontology
Outgoing 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
Manual Xref Database
140375 ChemSpider
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Registry Number Type Source
2292-16-2 CAS Registry Number ChemIDplus