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(S)-tetrahydropalmatine

PropertiesImage
MNX_IDMNXM3369 Image of MNXM3369
referencechebi:16563
formulaC21H25NO4
global charge0
mol weight355.434
InChIKeyAEQDJSLRWYMAQI-KRWDZBQOSA-N
InChIInChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1
SMILESCOC1=CC2=C(C=C1OC)[C@@H]1CC3=CC=C(OC)C(OC)=C3CN1CC2
MNX internals
InChI (mnx)InChI=1/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1 Image of MNXM3369
SMILES (mnx)[CH3:1][O:23][C:18]1=[C:21]([O:26][CH3:4])[C:16]2=[C:13]([CH:5]=[CH:6]1)[CH2:9][C@H:17]1[C:15]3=[CH:11][C:20]([O:25][CH3:3])=[C:19]([O:24][CH3:2])[CH:10]=[C:14]3[CH2:7][CH2:8][N:22]1[CH2:12]2
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:16563
chebi:16563
AEQDJSLRWYMAQI-KRWDZBQOSA-N 		(S)-tetrahydropalmatine
(-)-tetrahydropalmatine
(13aS)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline
(S)-(-)-tetrahydropalmatine
(S)-Tetrahydropalmatine
2,3,9,10-tetramethoxy-13aalpha-berbine
L-tetrahydropalmatine
Tetrahydropalmatine
tetrahydropalmatine

metacyc.compound:TETRAHYDROPALMATINE
metacycM:TETRAHYDROPALMATINE
AEQDJSLRWYMAQI-KRWDZBQOSA-N 		(S)-tetrahydropalmatine

sabiork.compound:2570
sabiorkM:2570
vmhM:thpmtn
vmhmetabolite:thpmtn
AEQDJSLRWYMAQI-KRWDZBQOSA-N 		Tetrahydropalmatine

kegg.compound:C02890
keggC:C02890
AEQDJSLRWYMAQI-KRWDZBQOSA-N 		Tetrahydropalmatine
(S)-Tetrahydropalmatine

seed.compound:cpd01851
seedM:cpd01851
AEQDJSLRWYMAQI-KRWDZBQOSA-N 		Tetrahydropalmatine
(S)-Tetrahydropalmatine
(S)-tetrahydropalmatine
tetrahydropalmatine

chebi:15223
chebi:26917
chebi:9486
keggC:M_C02890
seedM:M_cpd01851
vmhM:M_thpmtn 		secondary/obsolete/fantasy identifier