NPs Basic Information

Name
Tyrosine
Molecular Formula C9H11NO3
IUPAC Name*
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)N)O
InChI
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKey
OUYCCCASQSFEME-QMMMGPOBSA-N
Synonyms
L-tyrosine; tyrosine; 60-18-4; (S)-Tyrosine; p-Tyrosine; L-p-Tyrosine; (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; H-Tyr-OH; 4-Hydroxy-L-phenylalanine; Tyrosine, L-; Tyrosinum [Latin]; Tyrosine (VAN); Tirosina [Spanish]; L-(-)-Tyrosine; (-)-alpha-Amino-p-hydroxyhydrocinnamic acid; L-Phenylalanine, 4-hydroxy-; beta-(p-Hydroxyphenyl)alanine; Tyrosine [USAN:INN]; FEMA No. 3736; (S)-alpha-Amino-4-hydroxybenzenepropanoic acid; L-2-Amino-3-p-hydroxyphenylpropanoic acid; 3-(4-Hydroxyphenyl)-L-alanine; (S)-3-(p-Hydroxyphenyl)alanine; (S)-(-)-Tyrosine; HSDB 2003; alpha-Amino-beta-(4-hydroxyphenyl)propionic acid; AI3-09055; tirosina; Propanoic acid, 2-amino-3-(4-hydroxyphenyl)-, (S)-; NSC 82624; alpha-Amino-p-hydroxyhydrocinnamic acid, (-)-; L-Tyr; (S)-2-Amino-3-(4-hydroxyphenyl)propanoic acid; (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid; L-Tyrosine, monomer; alpha-Amino-4-hydroxybenzenepropanoic acid, (S)-; 2-Amino-3-(4-hydroxyphenyl)propanoic acid, (S)-; Benzenepropanoic acid, alpha-amino-4-hydroxy-, (S)-; MFCD00002606; tyr; 25619-78-7; CHEBI:17895; NSC-82624; 42HK56048U; NCGC00159350-02; Tyrosine (L-Tyrosine); Tyrosinum; DSSTox_CID_3730; L-Tyrosin; (-)-.alpha.-Amino-p-hydroxyhydrocinnamic acid; DSSTox_RID_77170; DSSTox_GSID_23730; CAS-60-18-4; L-Tyrosine (9CI); 4ts1; Tyrosine (USP/INN); EINECS 200-460-4; plovamer-acetate; Benzenepropanoate; UNII-42HK56048U; 2csm; (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid; (L)-Tyrosine; (-) tyrosine; H-Tyr; L-Tyrosine,(S); L-Tyrosine (JP17); TYROSINE [HSDB]; TYROSINE [INCI]; TYROSINE [USAN]; TYROSINE [INN]; TYROSINE [II]; TYROSINE [MI]; L-TYR-OH; TYROSINE [VANDF]; Tyrosine, L- (8CI); .alpha.-Amino-.beta.-(4-hydroxyphenyl)propionic acid; L-TYROSINE [FCC]; L-TYROSINE [JAN]; Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs; TYROSINE [MART.]; bmse000051; CHEMBL925; L-TYROSINE [FHFI]; TYROSINE [WHO-DD]; SCHEMBL1581; L-[U-14C]Tyr; L-Phenylalanine-4-hydroxy-; L-Tyrosine non-animal source; L-TYROSINE [USP-RS]; Levodopa impurity, l-tyrosine-; TYROSINE [ORANGE BOOK]; GTPL4791; L-Tyrosine, >=97%, FG; TYROSINE [EP MONOGRAPH]; DD69927C-C6A8-4BC6-8E9A-0AB423B176E7; DTXSID1023730; TYROSINE [USP MONOGRAPH]; BDBM18129; ZINC266964; N-acetyl-o-(dihydroxymethylsilyl)-; HY-N0473; L-Tyrosine, Vetec(TM), 98.5%; Tox21_111594; (-)-a-Amino-p-hydroxyhydrocinnamate; AC2634; s4608; AKOS010400205; Tox21_111594_1; (S)-a-Amino-4-hydroxybenzenepropanoate; AM82304; CS-8013; DB00135; (-)-alpha-Amino-p-hydroxyhydrocinnamate; (-)-a-Amino-p-hydroxyhydrocinnamic acid; (S)-3-(4-HYDROXYPHENYL)ALANINE; (S)-a-amino-4-hydroxy-Benzenepropanoate; NCGC00159350-03; NCGC00344525-01; AC-11295; AS-11772; BP-13285; LEVODOPA IMPURITY B [EP IMPURITY]; (S)-alpha-Amino-4-hydroxybenzenepropanoate; DIETHYL1,3,5-BENZENETRICARBOXYLATE; L-Tyrosine, BioUltra, >=99.0% (NT); (S)-2-Amino-3-(p-hydroxyphenyl)propionate; (S)-a-Amino-4-hydroxybenzenepropanoic acid; DB-029987; L-Tyrosine, Free Base - CAS 60-18-4; (S)-a-amino-4-hydroxy-Benzenepropanoic acid; (S)-alpha-amino-4-hydroxy-Benzenepropanoate; L-Tyrosine, reagent grade, >=98% (HPLC); L-Tyrosine, SAJ special grade, >=99.0%; T0550; EN300-52629; C00082; D00022; D70837; L-Tyrosine, Vetec(TM) reagent grade, >=98%; M02963; (2S)-2-amino-3-(4-hydroxyphenyl)propanoicacid; (S)-alpha-amino-4-hydroxy-Benzenepropanoic acid; L-Tyrosine, Cell Culture Reagent (H-L-Tyr-OH); (S)-.alpha.-Amino-4-hydroxybenzenepropanoic acid; 002T606; 2-Amino-3-(4-hydroxyphenyl)propanoic acid-(S)-; A832631; N-ACETYLTYROSINE IMPURITY A [EP IMPURITY]; Q188017; J-521656; Propanoic acid, 2-amino-3-(4-hydroxyphenyl)-(S)-; LEVODOPA IMPURITY, L-TYROSINE- [USP IMPURITY]; Q27115106; Benzenepropanoic acid, .alpha.-amino-4-hydroxy-, (S)-; F8889-8713; L-Tyrosine, certified reference material, TraceCERT(R); Tyrosine, European Pharmacopoeia (EP) Reference Standard; Z756440046; L-Tyrosine, United States Pharmacopeia (USP) Reference Standard; 2-amino-3-(4-hydroxyphen yl)-2-amino-3-(4-hydroxyphenyl)-Propanoate; 2-amino-3-(4-hydroxyphen yl)-2-amino-3-(4-hydroxyphenyl)-Propanoic acid; Benzeneethanaminium,a-carboxy-4-hydroxy-N,N,N-trimethyl-,inner salt,(as)-; Benzeneethanaminium, a-carboxy-4-hydroxy-N,N,N-trimethyl-,inner salt, (aS)-; 1189756-47-5; L-Tyrosine, from non-animal source, meets EP, USP testing specifications, suitable for cell culture, >=99.0%
CAS 60-18-4
PubChem CID 6057
ChEMBL ID CHEMBL925
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Organic acids and derivat
      • Class: Carboxylic acids and deri
        • Subclass: Amino acids, peptides, an
          • Direct Parent: Tyrosine and derivatives

ClassyFire Version 1.0
PMID:27867422

NPs Species Source

Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference
Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference

NPs Content

*Note: The vaules in Content Percentage are calculated by dividing the content value by the maximum content value in NP Content.
**Note: The units with different NP content, due to their incomparable values, are separated into different tables.

NPs Biological Activity

Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name
Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name

NPs Physi-Chem Properties

Molecular Weight: 181.19 ALogp: -2.3
HBD: 3 HBA: 4
Rotatable Bonds: 3 Lipinski's rule of five: Accepted
Polar Surface Area: 83.6 Aromatic Rings: 1
Heavy Atoms: 13 QED Weighted: 0.642

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -5.803 MDCK Permeability: 0.00132532
Pgp-inhibitor: 0 Pgp-substrate: 0.51
Human Intestinal Absorption (HIA): 0.013 20% Bioavailability (F20%): 0.001
30% Bioavailability (F30%): 0.001

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.151 Plasma Protein Binding (PPB): 25.19%
Volume Distribution (VD): 0.424 Fu: 77.46%

ADMET: Metabolism

CYP1A2-inhibitor: 0.028 CYP1A2-substrate: 0.044
CYP2C19-inhibitor: 0.054 CYP2C19-substrate: 0.058
CYP2C9-inhibitor: 0.012 CYP2C9-substrate: 0.592
CYP2D6-inhibitor: 0.026 CYP2D6-substrate: 0.358
CYP3A4-inhibitor: 0.054 CYP3A4-substrate: 0.062

ADMET: Excretion

Clearance (CL): 18.458 Half-life (T1/2): 0.829

ADMET: Toxicity

hERG Blockers: 0.089 Human Hepatotoxicity (H-HT): 0.165
Drug-inuced Liver Injury (DILI): 0.013 AMES Toxicity: 0.023
Rat Oral Acute Toxicity: 0.728 Maximum Recommended Daily Dose: 0.012
Skin Sensitization: 0.294 Carcinogencity: 0.141
Eye Corrosion: 0.009 Eye Irritation: 0.098
Respiratory Toxicity: 0.156
*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

Similar NPs Similar Drugs
NPs ID NPs 2D Structure Similarity Score TTD ID Drug 2D Structure Similarity Score
ENC000006 0.625 D01CRB 1.000
ENC000774 0.585 D0W1RY 0.610
ENC000127 0.565 D0B3QM 0.565
ENC000130 0.545 D08HVR 0.565
ENC000325 0.531 D0R1CR 0.545
ENC003452 0.527 D00FGO 0.500
ENC000007 0.512 D0R1QE 0.442
ENC004860 0.511 D03UOT 0.425
ENC006122 0.511 D0U0OT 0.415
ENC000350 0.500 D0U5QK 0.413
*Note: the compound similarity was calculated by RDKIT.