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(S)-nandinine

PropertiesImage
MNX_IDMNXM148578 Image of MNXM148578
referencechebi:132749
formulaC19H19NO4
global charge0
mol weight325.364
InChIKeyPQECCKIOFCWGRJ-HNNXBMFYSA-N
InChIInChI=1S/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1
SMILESCOC1=C(O)C2=C(C=C1)C[C@H]1C3=C(C=C4OCOC4=C3)CCN1C2
MNX internals
InChI (mnx)InChI=1/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1 Image of MNXM148578
SMILES (mnx)[CH3:1][O:22][C:16]1=[C:19]([OH:21])[C:14]2=[C:11]([CH:2]=[CH:3]1)[CH2:6][C@H:15]1[C:13]3=[CH:8][C:18]4=[C:17]([CH:7]=[C:12]3[CH2:4][CH2:5][N:20]1[CH2:9]2)[O:23][CH2:10][O:24]4
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:132749
chebi:132749
PQECCKIOFCWGRJ-HNNXBMFYSA-N
(S)-nandinine
(+)-Nandinin
(+)-Tetrahydroberberrubine
(+)-nandinine
(13aS)-10-methoxy-5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-9-ol
10-Methoxy-2,3-(methylenedioxy)berbin-9-ol
Nandinine
S-Tetrahydroberberrubine

kegg.compound:C21370
keggC:C21370
PQECCKIOFCWGRJ-HNNXBMFYSA-N
(S)-Nandinine

metacyc.compound:CPD-16783
metacycM:CPD-16783
seed.compound:cpd32648
seedM:cpd32648
PQECCKIOFCWGRJ-HNNXBMFYSA-N
(S)-nandinine

keggC:M_C21370
seedM:M_cpd32648
secondary/obsolete/fantasy identifier