Levodopa
PubChem CID: 6047
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| Compound Synonyms | levodopa, L-dopa, 59-92-7, 3,4-dihydroxy-L-phenylalanine, Dopar, 3-Hydroxy-L-tyrosine, Bendopa, Larodopa, Cidandopa, Dopaidan, Dopalina, Maipedopa, Dopasol, Eldopal, Eldopar, Levopa, Prodopa, Syndopa, 3,4-Dihydroxyphenylalanine, 3-(3,4-Dihydroxyphenyl)-L-alanine, Brocadopa, Insulamina, Deadopa, Pardopa, (-)-Dopa, Dihydroxy-L-phenylalanine, Helfo-Dopa, Dopa, Dopaflex, Doparkine, Dopaston, Dopastral, Eldopatec, Eurodopa, Doparl, Doprin, Veldopa, Dopal-fher, L-3,4-Dihydroxyphenylalanine, Levodopum, (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid, Levedopa, Ledopa, L-o-Hydroxytyrosine, L-Tyrosine, 3-hydroxy-, Dopaston SE, (-)-3-(3,4-Dihydroxyphenyl)-L-alanine, Laradopa, Parda, beta-(3,4-Dihydroxyphenyl)-L-alanine, 3,4-Dihydroxyphenyl-L-alanine, L-(o-Dihydroxyphenyl)alanine, L-(-)-Dopa, L-3-Hydroxytyrosine, L-beta-(3,4-Dihydroxyphenyl)alanine, Inbrija, Weldopa, beta-(3,4-Dihydroxyphenyl)alanine, L-Dihydroxyphenylalanine, L-3-(3,4-Dihydroxyphenyl)alanine, Ro 4-6316, CVT-301, (S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid, CCRIS 3766, Levodopum [INN-Latin], CHEBI:15765, HSDB 3348, alanine, 3-(3,4-dihydroxyphenyl)-, L-, dihydroxyphenylalanine, EINECS 200-445-2, MFCD00002598, component of Sinemet, NSC 118381, NSC-118381, Dopar (TN), DTXSID9023209, beta-(3,4-Dihydroxyphenyl)-alpha-L-alanine, L-beta-(3,4-Dihydroxyphenyl)-alpha-alanine, UNII-46627O600J, Alanine, 3-(3,4-dihydroxyphenyl)-, (-)-, L(-)-Dopa, (-)-(3,4-Dihydroxyphenyl)alanine, NSC118381, L-.beta.-(3,4-Dihydroxyphenyl)alanine, CHEMBL1009, .beta.-(3,4-Dihydroxyphenyl)-L-alanine, DHIVY COMPONENT LEVODOPA, DTXCID303209, DUOPA COMPONENT LEVODOPA, RYTARY COMPONENT LEVODOPA, 46627O600J, L-(3,4-Dihydroxyphenyl)alanine, PARCOPA COMPONENT LEVODOPA, STALEVO COMPONENT LEVODOPA, CARBILEV COMPONENT LEVODOPA, CORBILTA COMPONENT LEVODOPA, DOPASNAP COMPONENT LEVODOPA, IPX203 COMPONENT LEVODOPA, V-1512, IPX-203 COMPONENT LEVODOPA, LEVODOPA COMPONENT OF PARCOPA, LEVODOPA COMPONENT OF SINEMET, Inbrija (levodopa inhalation powder), LEVODOPA COMPONENT OF CARBILEV, .beta.-(3,4-Dihydroxyphenyl)alanine, Levodopa [USAN:USP:INN:BAN:JAN], CAS-59-92-7, NCGC00016270-04, Biodopa, Cerepap, Sobiodopa, L-(3,4-Dihydroxyphenyl)-.alpha.-alanine, Levodopum (INN-Latin), LEVODOPA (MART.), LEVODOPA [MART.], LEVODOPA (USP-RS), LEVODOPA [USP-RS], Helfo DOPA, beta-(3,4-Dihydroxyphenyl)-alpha-alanine, LEVODOPA (EP IMPURITY), LEVODOPA [EP IMPURITY], Phenylalanine, 3,4-dihydroxy-, LEVODOPA (EP MONOGRAPH), LEVODOPA [EP MONOGRAPH], LEVODOPA (USP MONOGRAPH), LEVODOPA [USP MONOGRAPH], Atamet, BDBM50130192, L-O-Dihydroxyphenylalanine, Levodopa (USAN:USP:INN:BAN:JAN), L Dopa, L-3, WLN: QVYZ1R CQ DQ, 3,4-Dihydroxyphenylalanine (VAN), SR-01000075384, L-3,4-Dihydrophenylalanine, Dopastone, Dopicar, Prolopa, (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate, Prestwick_185, Levodopa (Sinemet), L-DOPA, Levodopa, Madopa (Salt/Mix), L-DOPA (Standard), Spectrum_000454, 4-dihydroxyphenylalanine, LEVODOPA [HSDB], LEVODOPA [USAN], LEVODOPA [INN], LEVODOPA [JAN], LEVODOPA [MI], LEVODOPA [VANDF], Prestwick0_000017, Prestwick1_000017, Prestwick2_000017, Prestwick3_000017, Spectrum2_000496, Spectrum4_000539, Spectrum5_001899, Lopac-D-9628, Levodopa (JP15/USP), bmse000322, Epitope ID:150927, LEVODOPA [WHO-DD], LEVODOPA [WHO-IP], DOPA, L-, 3, 4-Dihydroxyphenylalanine, Alanine,4-dihydroxyphenyl)-, LEVODOPA [EMA EPAR], Lopac0_000454, SCHEMBL22655, BSPBio_000053, BSPBio_002354, KBioGR_001177, KBioSS_000934, L-4-5-Dihydroxyphenylalanine, MLS000028514, BIDD:GT0158, DivK1c_000452, SPECTRUM2300205, Levodopa (JP18/USP/INN), SPBio_000391, SPBio_001974, LEVODOPA [ORANGE BOOK], BPBio1_000059, GTPL3639, b-(3,4-Dihydroxyphenyl)alanine, WLN: QVYZ1R CQ DQ -L, 3, 4-Dihydroxy-L-phenylalanine, BDBM60928, HMS501G14, HY-N0304R, KBio1_000452, KBio2_000934, KBio2_003502, KBio2_006070, LEVODOPUM [WHO-IP LATIN], N04BA01, Alanine,4-dihydroxyphenyl)-, L-, L-(3, 4-Dihydroxyphenyl)alanine, NINDS_000452, HMS1568C15, HMS1922J14, HMS2090O08, HMS2093N04, HMS2095C15, HMS2230B04, HMS3261K10, HMS3712C15, LEVODOPA COMPONENT OF DHIVY, LEVODOPA COMPONENT OF DUOPA, Pharmakon1600-02300205, H-Phe{3,4-(OH)2}-OH, HY-N0304, LEVODOPA COMPONENT OF RYTARY, Levodopa, 3,4-Dihydroxyphenylalanine, b-(3,4-Dihydroxyphenyl)-L-alanine, LEVODOPA COMPONENT OF STALEVO, Tox21_110338, Tox21_500454, CCG-39571, HB1925, L-3-(3,4-dihydroxy-phenyl)alanine, L-3-(3,4-dihydroxyphenyl)-Alanine, NSC759573, PDSP1_001541, PDSP2_001525, s1726, Alanine, 3-(3,4-dihydroxyphenyl)-, Alanine,4-dihydroxyphenyl)-, (-)-, LEVODOPA COMPONENT OF CORBILTA, LEVODOPA COMPONENT OF DOPASNAP, AKOS010396267, b-(3,4-Dihydroxyphenyl)-a-L-alanine, L-b-(3,4-Dihydroxyphenyl)-a-alanine, L-DOPA (3,4-Dihydroxyphenylalanine), .beta.-(3, 4-Dihydroxyphenyl)alanine, AC-8432, CS-1945, DB01235, FD15635, LP00454, NSC-759573, SDCCGMLS-0066924.P001, SDCCGSBI-0050439.P004, IDI1_000452, NCGC00015384-01, NCGC00016270-01, NCGC00016270-06, NCGC00016270-07, NCGC00016270-09, NCGC00016270-10, NCGC00016270-22, NCGC00093869-04, NCGC00261139-01, AS-13287, BP-12850, SMR000058312, SBI-0050439.P003, L-(3, 4-Dihydroxyphenyl)-.alpha.-alanine, D0600, D9628, EU-0100454, NS00068395, EN300-52637, Alanine, 3-(3, 4-dihydroxyphenyl)-, (-)-, C00355, D 9628, D00059, D70595, 3,4-Dihydroxy-L-phenylalanine, >=98% (TLC), AB00052418-06, AB00052418-07, AB00052418_08, AB00052418_09, Q300989, (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoicacid, SR-01000075384-1, SR-01000075384-4, SR-01000075384-6, SR-01000075384-7, BRD-K34730807-001-15-0, BRD-K34730807-001-16-8, BRD-K34730807-001-17-6, (S)-2-Amino-3-(3,4-dihydroxy-phenyl)-propionic acid, F0347-4695, Levodopa, British Pharmacopoeia (BP) Reference Standard, Levodopa, European Pharmacopoeia (EP) Reference Standard, Z756440064, (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acidL-dopa, 1E83F927-C221-46AA-B90A-81B33C5F3868, 3,4-Dihydroxy-L-phenylalanine, Vetec(TM) reagent grade, 98%, Levodopa, United States Pharmacopeia (USP) Reference Standard, LEVODOPA/CARBIDOPA/ENTACAPONE ORION COMPONENT LEVODOPA, 3,4-Dihydroxy-L-phenylalanine, certified reference material, TraceCERT(R), Levodopa, Pharmaceutical Secondary Standard, Certified Reference Material, L-DOPA, (S)-2-Amino-3-(3,4-dihydroxyphenyl) propanoic acid, Levodopa, Sinemet, Parcopa, 122769-74-8, 200-445-2, 65170-01-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Aminoacids, Phenylethylamines |
| Deep Smiles | OC=O)[C@H]Ccccccc6)O))O))))))N |
| Heavy Atom Count | 14.0 |
| Pathway Kegg Map Id | map00350 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | Occurs in seedlings and pods of Vicia faba L-DOPA (L-3,4-dihydroxyphenylalanine, INN levodopa, trade names Sinemet, Parcopa, Atamet, Stalevo, Madopar, Prolopa, etc.) is a naturally-occurring dietary supplement and psychoactive drug found in certain kinds of food and herbs (e.g., Mucuna pruriens, or velvet bean), and is synthesized from the amino acid L-tyrosine in the mammalian body and brain. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Enzyme Uniprot Id | P07101, P20711, P14416, P21917 |
| Uniprot Id | P14679, P21964, P07101, P20711, P10635, P14416, P21917, P46059, P08195, Q8TF71, P35462, P21728, P21918 |
| Iupac Name | (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -2.7 |
| Superclass | Benzenoids |
| Subclass | Phenols and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H11NO4 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | WTDRDQBEARUVNC-LURJTMIESA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | (-)-(3,4-Dihydroxyphenyl)alanine, (-)-3-(3,4-dihydroxyphenyl)-L-alanine, (-)-DOPA, (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate, (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid, &beta, -(3,4-Dihydroxyphenyl)-L-alanine, &beta, -(3,4-Dihydroxyphenyl)alanine, 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, L-form, 3-(3,4-Dihydroxyphenyl)-L-alanine, 3-Hydroxy-L-tyrosine, 3,4-Dihydroxy-L-phenylalanine, 3,4-Dihydroxyphenyl-L-alanine, Alanine, 3-(3,4-dihydroxyphenyl)-, (-)-, Alanine, 3-(3,4-dihydroxyphenyl)-, L-, b-(3,4-Dihydroxyphenyl)-a-L-alanine, b-(3,4-Dihydroxyphenyl)-L-alanine, b-(3,4-Dihydroxyphenyl)alanine, Bendopa, beta-(3,4-Dihydroxyphenyl)-alpha-L-alanine, beta-(3,4-Dihydroxyphenyl)-L-alanine, beta-(3,4-Dihydroxyphenyl)alanine, Cidandopa, Dihydroxy-L-phenylalanine, Dihydroxyphenylalanine, DOPA, Dopaflex, Dopaidan, Dopal, Dopalina, Dopar, Doparkine, Doparl, Dopasol, Dopaston, Dopastone, Dopastral, Dopicar, Doprin, Eldopal, Eldopar, Eldopatec, Eurodopa, Helfo-dopa, Insulamina, L-(-)-DOPA, L-(3, 4-Dihydroxyphenyl)alanine, L-(3,4-Dihydroxyphenyl)-&alpha, -alanine, L-(3,4-Dihydroxyphenyl)alanine, L-&beta, -(3,4-Dihydroxyphenyl)alanine, L-3-(3,4-dihydroxyphenyl)-Alanine, L-3-(3,4-Dihydroxyphenyl)alanine, L-3-Hydroxytyrosine, L-4-5-Dihydroxyphenylalanine, L-b-(3,4-Dihydroxyphenyl)-a-alanine, L-b-(3,4-Dihydroxyphenyl)alanine, L-beta-(3,4-Dihydroxyphenyl)-alpha-alanine, L-beta-(3,4-Dihydroxyphenyl)alanine, L-dihydroxyphenylalanine, L-DOPA, L-Tyrosine, 3-hydroxy-, L-β-(3,4-dihydroxyphenyl)alanine, Laradopa, Larodopa, Ledopa, Levedopa, Levodopa, Levodopa, BAN, INN, JAN, USAN, Levodopum, Levopa, Maipedopa, Parda, Pardopa, Prodopa, Syndopa, Veldopa, Weldopa, β-(3,4-dihydroxyphenyl)-L-alanine, β-(3,4-dihydroxyphenyl)alanine, (-)-3-(3,4-Dihydroxyphenyl)-L-alanine, (-)-Dopa, 3,4-DIHYDROXYPHENYLALANINE, Β-(3,4-dihydroxyphenyl)-L-alanine, Β-(3,4-dihydroxyphenyl)alanine, L-Β-(3,4-dihydroxyphenyl)alanine, (2S)-2-Amino-3-(3,4-dihydroxyphenyl)propanoate, (2S)-2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, L-(-)-Dopa, L-3-(3,4-Dihydroxyphenyl)-alanine, L-Dihydroxyphenylalanine, 3 Hydroxy L tyrosine, Roche brand OF levodopa, L 3,4 Dihydroxyphenylalanine, L-3,4-Dihydroxyphenylalanine, Medphano brand OF levodopa, L Dopa, Roberts brand OF levodopa, l-dopa |
| Substituent Name | 3-phenylpropanoic-acid, Catecholamine, L-alpha-amino acid, Amphetamine or derivatives, Alpha-amino acid or derivatives, Alpha-amino acid, Aralkylamine, Amino fatty acid, Fatty acyl, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Primary amine, Organooxygen compound, Organonitrogen compound, Primary aliphatic amine, Carbonyl group, Amine, Aromatic homomonocyclic compound |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, cO |
| Compound Name | Levodopa |
| Kingdom | Organic compounds |
| Exact Mass | 197.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 197.069 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 197.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/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)/t6-/m0/s1 |
| Smiles | C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O |
| Np Classifier Biosynthetic Pathway | Alkaloids, Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Tyrosine and derivatives |
| Np Classifier Superclass | Tyrosine alkaloids, Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Alysicarpus Rugosus (Plant) Rel Props:Reference:ISBN:9788172362089 - 2. Outgoing r'ship
FOUND_INto/from Canavalia Ensiformis (Plant) Rel Props:Reference:ISBN:9788172362089 - 3. Outgoing r'ship
FOUND_INto/from Canavalia Gladiata (Plant) Rel Props:Reference:ISBN:9788172362089 - 4. Outgoing r'ship
FOUND_INto/from Euphorbia Lathyris (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 5. Outgoing r'ship
FOUND_INto/from Mucuna Pruriens (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/21970446 - 6. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Teramnus Labialis (Plant) Rel Props:Reference:ISBN:9788171360536 - 8. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:fooddb_chem_all