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CHEBI:229094 - Dauricinoline

ChEBI IDCHEBI:229094
ChEBI NameDauricinoline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H42N2O6
Net Charge0
Average Mass610.751
Monoisotopic Mass610.30429
SMILESCOc1cc2c(cc1O)CCN(C)[C@@H]2Cc1ccc(O)c(Oc2ccc(C[C@@H]3c4cc(OC)c(OC)cc4CCN3C)cc2)c1
InChIInChI=1S/C37H42N2O6/c1-38-15-13-26-20-36(43-4)37(44-5)22-29(26)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-28-21-34(42-3)33(41)19-25(28)12-14-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1
InChIKeyOMFKIOLXDGQKCF-FIRIVFDPSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Dauricinoline (CHEBI:229094) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-hydroxyphenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
Manual XrefsDatabases
24534140ChemSpider