| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 14 | No |
Popular Name: Levodopa Levodopa
Find On: PubMed — Wikipedia — Google
CAS Numbers: 118118-98-2 , 18683-98-2 , 5796-17-8 , 59-92-7 , 63-84-3 , [59-92-7] , [63-84-3]
(-)-(3,4-Dihydroxyphenyl)alanine
(-)-3-(3,4-Dihydroxyphenyl)-L-alanine
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
(2S)-2-ammonio-3-(3,4-dihydroxyphenyl)propanoate; L-dopa
(S)-2-Amino-3-(3,4-dihydroxy-phenyl)-propionic acid
.Beta.-(3, 4-Dihydroxyphenyl)alanine
.Beta.-(3,4-Dihydroxyphenyl)-L-alanine
1E83F927-C221-46AA-B90A-81B33C5F3868
2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid
3, 4-Dihydroxy-L-phenylalanine
3,4-Dihydroxy-DL-phenylalanine
3,4-Dihydroxy-DL-phenylalanine, 98%
3,4-Dihydroxy-L-phenylalanine, 98+%
3,4-Dihydroxyphenylalanine (VAN)
3-(3,4-Dihydroxyphenyl)-L-alanine
3-(3,4-Dihydroxyphenyl)-L-alanine, 99%
59-92-7; D00059; Dopar (TN); Levodopa (JP16/USP/INN)
59-92-7; Levodopa; Prestwick_185
Alanine, 3-(3, 4-dihydroxyphenyl)-, (-)-
Alanine, 3-(3,4-dihydroxyphenyl)-
Alanine, 3-(3,4-dihydroxyphenyl)-, (-)-
Alanine, 3-(3,4-dihydroxyphenyl)-, L-
beta-(3,4-Dihydroxyphenyl)-alpha-alanine
beta-(3,4-Dihydroxyphenyl)-alpha-L-alanine
beta-(3,4-Dihydroxyphenyl)-L-alanine
beta-(3,4-Dihydroxyphenyl)alanine
CHEBI:75987; CHEBI:41871; CHEBI:1377; CHEBI:49933; CHEBI:19825; CHEBI:13098; CHEBI:11693
DIHYDROXYPHENYLALANINE, DL-3,4-[ALANINE-1-14C]
DIHYDROXYPHENYLALANINE, L-3,4-[RING 2,5,6-3H]
DIHYDROXYPHENYLALANINE,DL-3,4-[ALANINE-1-14C]
DIHYDROXYPHENYLALANINE,L-3,4-[RING2,5,6-3H]
DL-3-(3,4-Dihydroxyphenyl)alanine
DL-beta-(3,4-Dihydroxyphenyl)-alanine
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14
L-(3, 4-Dihydroxyphenyl)-.alpha.-alani
L-(3, 4-Dihydroxyphenyl)alanine
L-.Beta.-(3,4-Dihydroxyphenyl)alanine
L-3-(3,4-Dihydroxyphenyl)alanine
L-3-(3,4-Dihydroxyphenyl)alanine, 99%
L-beta-(3,4-Dihydroxyphenyl)-alpha-alanine
L-beta-(3,4-Dihydroxyphenyl)alanine
L-DOPA, Parcopa, Atamet, Stalevo, Madopar, Prolopa, Dopar, 3,4-Dihydroxyphenylalanine
L-DOPA, Parcopa, Atamet, Stalevo, Madopar, Prolopa, Dopar, 3,4-Dihydroxyphenylalanine, Levodopa
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -2.20 | -0.91 | -39.4 | 5 | 5 | 0 | 108 | 197.19 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_source | Occurs in seedlings and pods of Vicia faba , in Mucuna pruriens, Sarothamnus scoparius, Stizolobium deeringianum, Stizolobium hassjoo, Aristolochia clematitis and other plants. | ZereneX Building Blocks |
| Melting_Point | 290? dec. | Alfa-Aesar |
| Melting_Point | 290° dec. | Alfa-Aesar |
| Mp [°C] | 295 | Acros Organics |
| ALOGPS_SOLUBILITY | 3.30e+00 g/l | DrugBank-approved |
| UniProt Database Links | 4F2_HUMAN; 4F2_MOUSE; 4F2_RABIT; 4F2_RAT; ACTB_HUMAN; CF1A_DROME; COMT_BOVIN; COMT_HORSE; COMT_HUMAN; COMT_MOUSE; COMT_PIG; COMT_RAT; DDC_BOVIN; DDC_CAEEL; DDC_CATRO; DDC_CAVPO; DDC_DROLE; DDC_DROME; DDC_DROSI; DDC_HUMAN; DDC_MANSE; DDC_MOUSE; DDC_PIG; DD | ChEBI |
| UniProt Database Links | 4F2_HUMAN; 4F2_MOUSE; 4F2_RABIT; 4F2_RAT; COMT_BOVIN; COMT_HORSE; COMT_HUMAN; COMT_MOUSE; COMT_PIG; COMT_RAT; DDC_BOVIN; DDC_CAEEL; DDC_CATRO; DDC_CAVPO; DDC_DROLE; DDC_DROME; DDC_DROSI; DDC_HUMAN; DDC_MANSE; DDC_MOUSE; DDC_PIG; DDC_RAT; DODA_BETVU; DODA_ | ChEBI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
| Purity | 99% | APIChem |
| mechanism | Able to cross the blood-brain-barrier | IBScreen Bioactives |
| biological_use | Antiparkinsonian | IBScreen Bioactives |
| Melting_Point | ca 295? dec. | Alfa-Aesar |
| Melting_Point | ca 295° dec. | Alfa-Aesar |
| Target | Calmodulin(P62158)&C-type lectin domain family 11 member A(Q9Y240)&Cytochrome b-245 heavy chain(P04839)&Eukaryotic translation initiation factor 4 gamma 1(Q04637)&Eukaryotic translation initiation factor 4E(P06730)&Eukaryotic translation initiation factor | Herbal Ingredients Targets |
| mechanism | Decarboxylated into dopamine in the basal ganglia and in the periphery markedly increasing serum dopamine | IBScreen Bioactives |
| mechanism | Dopaminergic | IBScreen Bioactives IBScreen Bioactives |
| Patent Database Links | EP0900568; EP1088550; EP1184035; EP1251128; EP1254661; EP1430898; EP1464641; EP1520582; EP1792617; EP1815854; EP1815862; EP1820491; EP1875912; EP1902716; US2002147336; US2004176595; US2005054658; US2005096387; US2005113380; US2006004001; US2006025385; US2 | ChEBI |
| Patent Database Links | EP1256343; EP1808169; EP1972615; GB2321455; US2001006962; US2003026850; US2003153544; US2003162832; US2004063677; US2004101523; US2004106117; US2004142904; US2004171682; US2005059608; US2005282831; US2005288347; US2006039962; US2006111373; US2006128731; U | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| Target | Others | Selleck Chemicals |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| Reactome Database Links | REACT_15366; REACT_15382 | ChEBI |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Description | Species |
|---|---|
| Catecholamine biosynthesis |
