Search MNXref
 Feedback

Ibogaine

PropertiesImage
MNX_IDMNXM1105034 Image of MNXM1105034
referencekeggC:C09214
formulaC20H26N2O
global charge0
mol weight310.441
InChIKeyHSIBGVUMFOSJPD-NXWOVTFFSA-N
InChIInChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1
SMILESCC[C@H]1C[C@H]2C[C@H]3C4=C(CCN(C2)[C@@H]13)C1=C(C=CC(OC)=C1)N4
MNX internals
InChI (mnx)InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1 Image of MNXM1105034
SMILES (mnx)[CH3:1][CH2:3][C@H:13]1[CH2:8][C@H:12]2[CH2:9][C@H:17]3[C:19]4=[C:15]([CH2:6][CH2:7][N:22]([CH2:11]2)[C@@H:20]13)[C:16]1=[CH:10][C:14]([O:23][CH3:2])=[CH:4][CH:5]=[C:18]1[NH:21]4
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd06109
seedM:cpd06109
kegg.compound:C09214
keggC:C09214
HSIBGVUMFOSJPD-NXWOVTFFSA-N 		Ibogaine
hmdb:HMDB0242213
HSIBGVUMFOSJPD-UHFFFAOYSA-N 		(-)-Ibogaine
12 Methoxyibogamine
12-Methoxyibogamine
17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene
Endabuse

metacyc.compound:CPD-21566
metacycM:CPD-21566
HSIBGVUMFOSJPD-NXWOVTFFSA-N 		ibogaine

keggC:M_C09214
seedM:M_cpd06109 		secondary/obsolete/fantasy identifier