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(3R)-3-hydroxy-16-methoxy-2,3-dihydrotabersonine

PropertiesImage
MNX_IDMNXM1988 Image of MNXM1988
referencechebi:58485
formulaC22H29N2O4
global charge1
mol weight385.484
InChIKeyMLIQIRKAHMVCDD-MMGCJVFTSA-O
InChIInChI=1S/C22H28N2O4/c1-4-20-8-5-10-24-11-9-21(18(20)24)15-7-6-14(27-2)12-16(15)23-17(21)22(26,13-20)19(25)28-3/h5-8,12,17-18,23,26H,4,9-11,13H2,1-3H3/p+1/t17-,18+,20+,21+,22-/m1/s1
SMILESCC[C@]12C=CC[NH+]3CC[C@@]4(C5=C(C=C(OC)C=C5)N[C@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32
MNX internals
InChI (mnx)InChI=1/C22H28N2O4/c1-4-20-8-5-10-24-11-9-21(18(20)24)15-7-6-14(27-2)12-16(15)23-17(21)22(26,13-20)19(25)28-3/h5-8,12,17-18,23,26H,4,9-11,13H2,1-3H3/t17-,18+,20+,21+,22-/m1/s1 Image of MNXM1988
SMILES (mnx)[CH3:1][CH2:4][C@:20]12[CH:8]=[CH:5][CH2:10][N:24]3[CH2:11][CH2:9][C@@:21]4([C:15]5=[CH:7][CH:6]=[C:14]([O:27][CH3:2])[CH:12]=[C:16]5[NH:23][C@H:17]4[C@:22]([C:19](=[O:25])[O:28][CH3:3])([OH:26])[CH2:13]1)[C@H:18]23
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58485
chebi:58485
MLIQIRKAHMVCDD-MMGCJVFTSA-O 		(3R)-3-hydroxy-16-methoxy-2,3-dihydrotabersonine
3-hydroxy-16-methoxy-2,3-dihydrotabersoninium
methyl 3beta-hydroxy-16-methoxy-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidin-9-inium-3alpha-carboxylate

metacyc.compound:16-METHOXY-23-DIHYDRO-3-HYDROXYTABERSON
metacycM:16-METHOXY-23-DIHYDRO-3-HYDROXYTABERSON
MLIQIRKAHMVCDD-MMGCJVFTSA-O 		(3R)-3-hydroxy-16-methoxy-2,3-dihydrotabersonine

vmhM:16mo23dh3htsn
vmhmetabolite:16mo23dh3htsn
MLIQIRKAHMVCDD-MMGCJVFTSA-N 		16-Methoxy-2,3-dihydro-3-hydroxytabersonine

kegg.compound:C04578
keggC:C04578
MLIQIRKAHMVCDD-KGZGCZEESA-N 		16-Methoxy-2,3-dihydro-3-hydroxytabersonine
(3R)-3-Hydroxy-16-methoxy-2,3-dihydrotabersonine

seed.compound:cpd02787
seedM:cpd02787
MLIQIRKAHMVCDD-MMGCJVFTSA-O 		16-Methoxy-2,3-dihydro-3-hydroxytabersonine
(3R)-3-hydroxy-16-methoxy-2,3-dihydrotabersonine
16-methoxy-2,3-dihydro-3-hydroxytabersonine
3-hydroxy-16-methoxy-2,3-dihydrotabersonine

CHEBI:18430
chebi:18430
MLIQIRKAHMVCDD-MMGCJVFTSA-N 		3-hydroxy-16-methoxy-2,3-dihydrotabersonine
16-Methoxy-2,3-dihydro-3-hydroxytabersonine
16-methoxy-2,3-dihydro-3-hydroxytabersonine
methyl 3beta-hydroxy-16-methoxy-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidine-3alpha-carboxylate

CHEBI:181918
chebi:181918
MLIQIRKAHMVCDD-KGZGCZEESA-N 		Methyl (1S,10R,12R,19S)-12-ethyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
methyl (1S,10R,12R,19S)-12-ethyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate

chebi:11331
chebi:19160
chebi:768
keggC:M_C04578
seedM:M_cpd02787
vmhM:M_16mo23dh3htsn 		secondary/obsolete/fantasy identifier