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denopamine

PropertiesImage
MNX_IDMNXM49050 Image of MNXM49050
referencechebi:135359
formulaC18H23NO4
global charge0
mol weight317.385
InChIKeyVHSBBVZJABQOSG-INIZCTEOSA-N
InChIInChI=1S/C18H23NO4/c1-22-17-8-3-13(11-18(17)23-2)9-10-19-12-16(21)14-4-6-15(20)7-5-14/h3-8,11,16,19-21H,9-10,12H2,1-2H3/t16-/m0/s1
SMILESCOC1=CC=C(CCNC[C@H](O)C2=CC=C(O)C=C2)C=C1OC
MNX internals
InChI (mnx)InChI=1/C18H23NO4/c1-22-17-8-3-13(11-18(17)23-2)9-10-19-12-16(21)14-4-6-15(20)7-5-14/h3-8,11,16,19-21H,9-10,12H2,1-2H3/t16-/m0/s1 Image of MNXM49050
SMILES (mnx)[CH3:1][O:22][C:17]1=[C:18]([O:23][CH3:2])[CH:11]=[C:13]([CH2:9][CH2:10][NH:19][CH2:12][C@@H:16]([C:14]2=[CH:5][CH:7]=[C:15]([OH:20])[CH:6]=[CH:4]2)[OH:21])[CH:3]=[CH:8]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-9611724
reactomeM:R-ALL-9611724
CHEBI:135359
chebi:135359
VHSBBVZJABQOSG-INIZCTEOSA-N 		denopamine
carguto
kalgut

sabiork.compound:26703
sabiorkM:26703 		Denopamine

kegg.drug:D02614
keggD:D02614
VHSBBVZJABQOSG-INIZCTEOSA-N 		Denopamine (JAN/INN)
Kalgut (TN)
hmdb:HMDB0250999
VHSBBVZJABQOSG-UHFFFAOYSA-N 		Denopamine
4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-hydroxyethyl)phenol

keggD:M_D02614 		secondary/obsolete/fantasy identifier