1.0
2011-09-21 00:27:44 UTC
2015-07-21 06:57:38 UTC
FDB023300
5-Hydroxykynurenamine
5-Hydroxykynurenamine is an intermediate in the tryptophan metabolic pathway [Kegg: C05638]. It is generated from 5-hydroxykynurenine via the enzyme DOPA decarboxylase. [HMDB]
3-amino-1-(2-amino-5-Hydroxyphenyl)-1-propanone
5-Hydroxykynuramine
Mausamine
Mousamine
C9H12N2O2
180.2038
180.089877638
3-amino-1-(2-amino-5-hydroxyphenyl)propan-1-one
5-hydroxykynurenamine
708-23-6
NCCC(=O)C1=C(N)C=CC(O)=C1
InChI=1S/C9H12N2O2/c10-4-3-9(13)7-5-6(12)1-2-8(7)11/h1-2,5,12H,3-4,10-11H2
JANBBPTXDKFOQR-UHFFFAOYSA-N
belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
Alkyl-phenylketones
Organic compounds
Organic oxygen compounds
Organooxygen compounds
Carbonyl compounds
Aromatic homomonocyclic compounds
1-hydroxy-2-unsubstituted benzenoids
Aniline and substituted anilines
Aryl alkyl ketones
Benzoyl derivatives
Beta-amino ketones
Hydrocarbon derivatives
Monoalkylamines
Organic oxides
Organopnictogen compounds
Vinylogous amides
p-Aminophenols
1-hydroxy-2-unsubstituted benzenoid
Alkyl-phenylketone
Amine
Aminophenol
Aniline or substituted anilines
Aromatic homomonocyclic compound
Aryl alkyl ketone
Benzenoid
Benzoyl
Beta-aminoketone
Hydrocarbon derivative
Monocyclic benzene moiety
Organic nitrogen compound
Organic oxide
Organonitrogen compound
Organopnictogen compound
P-aminophenol
Phenol
Primary aliphatic amine
Primary amine
Vinylogous amide
hydroxykynurenamine
Solid
logp
-0.47
logs
-1.84
solubility
2.59e+00 g/l
logp
-0.13
pka_strongest_acidic
10.01
pka_strongest_basic
9.34
iupac
3-amino-1-(2-amino-5-hydroxyphenyl)propan-1-one
average_mass
180.2038
mono_mass
180.089877638
smiles
NCCC(=O)C1=C(N)C=CC(O)=C1
formula
C9H12N2O2
inchi
InChI=1S/C9H12N2O2/c10-4-3-9(13)7-5-6(12)1-2-8(7)11/h1-2,5,12H,3-4,10-11H2
inchikey
JANBBPTXDKFOQR-UHFFFAOYSA-N
polar_surface_area
89.34
refractivity
51.2
polarizability
18.71
rotatable_bond_count
3
acceptor_count
4
donor_count
3
physiological_charge
1
formal_charge
0
Tryptophan Metabolism
SMP00063
map00380
Specdb::CMs
10497
Specdb::CMs
38704
Specdb::CMs
172238
Specdb::MsIr
2117
Specdb::MsIr
2118
Specdb::MsIr
2119
Specdb::MsMs
289138
Specdb::MsMs
289139
Specdb::MsMs
289140
Specdb::MsMs
328477
Specdb::MsMs
328478
Specdb::MsMs
328479
Specdb::MsMs
2733381
Specdb::MsMs
2733382
Specdb::MsMs
2733383
Specdb::MsMs
2973042
Specdb::MsMs
2973043
Specdb::MsMs
2973044
Specdb::NmrOneD
41522
Specdb::NmrOneD
41523
Specdb::NmrOneD
41524
Specdb::NmrOneD
41525
Specdb::NmrOneD
41526
Specdb::NmrOneD
41527
Specdb::NmrOneD
41528
Specdb::NmrOneD
41529
Specdb::NmrOneD
41530
Specdb::NmrOneD
41531
Specdb::NmrOneD
41532
Specdb::NmrOneD
41533
Specdb::NmrOneD
41534
Specdb::NmrOneD
41535
Specdb::NmrOneD
41536
Specdb::NmrOneD
41537
Specdb::NmrOneD
41538
Specdb::NmrOneD
41539
Specdb::NmrOneD
41540
Specdb::NmrOneD
41541
HMDB04076
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823
Aromatic-L-amino-acid decarboxylase
P20711
DDC