IngredientID 36076

Tyrosin

C9H11NO3

Relationship Network

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Herb: 4Ingredient: 1Meta-analysis: 1Target: 12Links: 17

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 36076
Core Entity Id: 43289
Source Entity Count: 1
Preferred Name: Tyrosin
Name En
Pubchem Id: 1153
Smiles Canonical: C1=CC(=CC=C1CC(C(=O)O)N)O
Molecular Formula: C9H11NO3
Molecular Weight: 181.1910
Inchikey: OUYCCCASQSFEME-UHFFFAOYSA-N
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)
Isomeric Smiles: C1=CC(=CC=C1CC(C(=O)O)N)O
Cas Id: 140-43-2
Ob Score: 57.5546
Mol Logp: 0.3466
Num H Donors: 3
Num H Acceptors: 3
Num Rotatable Bonds: 3
Drug Likeness: 0.6280
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Tyrosin

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Tyrosin

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Tyrosin

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

tyrosin;DTY

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(-)-alpha-Amino-p-hydroxyhydrocinnamic acid

Role

alias

Source

TCMBank

Preferred

Name

(.+-.)-Tyrosine

Role

alias

Source

HERB_v2

Preferred

Name

(.+-.)-Tyrosine

Role

alias

Source

itcmdb_public

Preferred

Name

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid

Role

alias

Source

TCMBank

Preferred

Name

(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid

Role

alias

Source

TCMBank

Preferred

Name

(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid

Role

alias

Source

TCMBank

Preferred

Name

(S)-3-(p-Hydroxyphenyl)alanine

Role

alias

Source

TCMBank

Preferred

Name

(S)-Tyrosine

Role

alias

Source

TCMBank

Preferred

Name

(S)-alpha-Amino-4-hydroxybenzenepropanoic acid

Role

alias

Source

TCMBank

Preferred

Name

140-43-2

Role

alias

Source

TCMBank

Preferred

Name

1991-85-1

Role

alias

Source

TCMBank

Preferred

Name

2-Amino-3-(4-hydroxyphenyl)propanoic acid, (S)-

Role

alias

Source

TCMBank

Preferred

Name

2-amino-3-(4-hydroxyphenyl)propanoic acid

Role

alias

Source

itcmdb_public

Preferred

Name

2-amino-3-(4-hydroxyphenyl)propanoic acid

Role

alias

Source

HERB_v2

Preferred

Name

25619-78-7

Role

alias

Source

TCMBank

Preferred

Name

4-Hydroxy-L-phenylalanine

Role

alias

Source

TCMBank

Preferred

Name

46209-14-7

Role

alias

Source

TCMBank

Preferred

Name

55520-40-6

Role

alias

Source

TCMBank

Preferred

Name

556-03-6

Role

alias

Source

itcmdb_public

Preferred

Name

556-03-6

Role

alias

Source

HERB_v2

Preferred

Name

93829_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

A9BAT9B32M

Role

alias

Source

itcmdb_public

Preferred

Name

A9BAT9B32M

Role

alias

Source

HERB_v2

Preferred

Name

AI3-09055

Role

alias

Source

TCMBank

Preferred

Name

AIDS-192305

Role

alias

Source

TCMBank

Preferred

Name

AIDS-192307

Role

alias

Source

TCMBank

Preferred

Name

AIDS018692

Role

alias

Source

TCMBank

Preferred

Name

AIDS192301

Role

alias

Source

TCMBank

Preferred

Name

AIDS192306

Role

alias

Source

TCMBank

Preferred

Name

AIDS192308

Role

alias

Source

TCMBank

Preferred

Name

BB_NC-1194

Role

alias

Source

TCMBank

Preferred

Name

Benzenepropanoic acid, alpha-amino-4-hydroxy-, (S)-

Role

alias

Source

TCMBank

Preferred

Name

C00082

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:17895

Role

alias

Source

TCMBank

Preferred

Name

D00022

Role

alias

Source

TCMBank

Preferred

Name

DL-Tyrosine

Role

alias

Source

itcmdb_public

Preferred

Name

DL-Tyrosine

Role

alias

Source

HERB_v2

Preferred

Name

EINECS 200-460-4

Role

alias

Source

TCMBank

Preferred

Name

FEMA No. 3736

Role

alias

Source

TCMBank

Preferred

Name

H-DL-Tyr-OH

Role

alias

Source

HERB_v2

Preferred

Name

H-DL-Tyr-OH

Role

alias

Source

itcmdb_public

Preferred

Name

HSDB 2003

Role

alias

Source

TCMBank

Preferred

Name

L-Phenylalanine-4-hydroxy-

Role

alias

Source

TCMBank

Preferred

Name

L-Tyrosin

Role

alias

Source

TCMBank

Preferred

Name

L-Tyrosine (9CI)

Role

alias

Source

TCMBank

Preferred

Name

L-Tyrosine (JAN)

Role

alias

Source

TCMBank

Preferred

Name

L-Tyrosine, homopolymer

Role

alias

Source

TCMBank

Preferred

Name

L-Tyrosine, monomer

Role

alias

Source

TCMBank

Preferred

Name

MFCD00063074

Role

alias

Source

itcmdb_public

Preferred

Name

MFCD00063074

Role

alias

Source

HERB_v2

Preferred

Name

Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs

Role

alias

Source

TCMBank

Preferred

Name

Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs, oxidized with hydrogen peroxide

Role

alias

Source

TCMBank

Preferred

Name

Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs, oxidized with hydrogen peroxide, <3 kd fraction

Role

alias

Source

TCMBank

Preferred

Name

Melanin synthesized from Tyr substrate catalyzed by tyrosinase, brominated with N-bromosuccinimide

Role

alias

Source

TCMBank

Preferred

Name

Melanin synthesized from Tyr substrate catalyzed by tyrosinase, sulfonated using sulfur trioxide/DMF complex for 1.5-7 hours

Role

alias

Source

TCMBank

Preferred

Name

NCGC00159350-02

Role

alias

Source

TCMBank

Preferred

Name

NCGC00159350-03

Role

alias

Source

TCMBank

Preferred

Name

NSC 205006

Role

alias

Source

itcmdb_public

Preferred

Name

NSC 205006

Role

alias

Source

HERB_v2

Preferred

Name

NSC 82624

Role

alias

Source

TCMBank

Preferred

Name

Propanoic acid, 2-amino-3-(4-hydroxyphenyl)-(S)-

Role

alias

Source

TCMBank

Preferred

Name

T3754_SIAL

Role

alias

Source

TCMBank

Preferred

Name

T4321_SIAL

Role

alias

Source

TCMBank

Preferred

Name

T8566_SIGMA

Role

alias

Source

TCMBank

Preferred

Name

TYR NH3+ COOH

Role

alias

Source

TCMBank

Preferred

Name

Tirosina [Spanish]

Role

alias

Source

TCMBank

Preferred

Name

Tyrosine (USP/INN)

Role

alias

Source

TCMBank

Preferred

Name

Tyrosine (VAN)

Role

alias

Source

TCMBank

Preferred

Name

Tyrosine [USAN:INN]

Role

alias

Source

TCMBank

Preferred

Name

Tyrosine, DL-

Role

alias

Source

itcmdb_public

Preferred

Name

Tyrosine, DL-

Role

alias

Source

HERB_v2

Preferred

Name

Tyrosine, L- (8CI)

Role

alias

Source

TCMBank

Preferred

Name

Tyrosinum [Latin]

Role

alias

Source

TCMBank

Preferred

Name

W373605_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

alpha-Amino-4-hydroxybenzenepropanoic acid, (S)-

Role

alias

Source

TCMBank

Preferred

Name

alpha-Amino-beta-(4-hydroxyphenyl)propionic acid

Role

alias

Source

TCMBank

Preferred

Name

beta-(p-Hydroxyphenyl)alanine

Role

alias

Source

TCMBank

Preferred

Name

nchembio816-comp11

Role

alias

Source

TCMBank

Preferred

Name

DTY

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Dty

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid

Role

alias

Source

HERB_v2

Preferred

Name

(R)-2-amino-3-(4-hydroxyphenyl)propanoic acid

Role

alias

Source

itcmdb_public

Preferred

Name

3-(4-Hydroxyphenyl)-D-alanine

Role

alias

Source

HERB_v2

Preferred

Name

556-02-5

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:28479

Role

alias

Source

itcmdb_public

Preferred

Name

D-Tyr

Role

alias

Source

itcmdb_public

Preferred

Name

D-Tyrosin

Role

alias

Source

itcmdb_public

Preferred

Name

D-tyrosine

Role

alias

Source

itcmdb_public

Preferred

Name

H-D-Tyr-OH

Role

alias

Source

HERB_v2

Preferred

Name

MFCD00063073

Role

alias

Source

HERB_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

tyrosin;DTY(-)-alpha-Amino-p-hydroxyhydrocinnamic acid(.+-.)-Tyrosine(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid(S)-3-(p-Hydroxyphenyl)alanine(S)-Tyrosine(S)-alpha-Amino-4-hydroxybenzenepropanoic acid140-43-21991-85-12-Amino-3-(4-hydroxyphenyl)propanoic acid, (S)-2-amino-3-(4-hydroxyphenyl)propanoic acid25619-78-74-Hydroxy-L-phenylalanine46209-14-755520-40-6556-03-693829_FLUKAA9BAT9B32MAI3-09055AIDS-192305AIDS-192307AIDS018692AIDS192301AIDS192306AIDS192308BB_NC-1194Benzenepropanoic acid, alpha-amino-4-hydroxy-, (S)-C00082CHEBI:17895D00022DL-TyrosineEINECS 200-460-4FEMA No. 3736H-DL-Tyr-OHHSDB 2003L-Phenylalanine-4-hydroxy-L-TyrosinL-Tyrosine (9CI)L-Tyrosine (JAN)L-Tyrosine, homopolymerL-Tyrosine, monomerMFCD00063074Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrsMelanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs, oxidized with hydrogen peroxideMelanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs, oxidized with hydrogen peroxide, <3 kd fractionMelanin synthesized from Tyr substrate catalyzed by tyrosinase, brominated with N-bromosuccinimideMelanin synthesized from Tyr substrate catalyzed by tyrosinase, sulfonated using sulfur trioxide/DMF complex for 1.5-7 hoursNCGC00159350-02NCGC00159350-03NSC 205006NSC 82624Propanoic acid, 2-amino-3-(4-hydroxyphenyl)-(S)-T3754_SIALT4321_SIALT8566_SIGMATYR NH3+ COOHTirosina [Spanish]Tyrosine (USP/INN)Tyrosine (VAN)Tyrosine [USAN:INN]Tyrosine, DL-Tyrosine, L- (8CI)Tyrosinum [Latin]W373605_ALDRICHalpha-Amino-4-hydroxybenzenepropanoic acid, (S)-alpha-Amino-beta-(4-hydroxyphenyl)propionic acidbeta-(p-Hydroxyphenyl)alaninenchembio816-comp11DTY(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid(R)-2-amino-3-(4-hydroxyphenyl)propanoic acid3-(4-Hydroxyphenyl)-D-alanine556-02-5CHEBI:28479D-TyrD-TyrosinD-tyrosineH-D-Tyr-OHMFCD00063073

Cross References

Trusted external identifiers retained for this final record.

Cas

140-43-2

Herb

HBIN047448HBIN024535

Tcmid

24919

Tcmsp

MOL000056

Sym Map

SMIT27355SMIT02737

Pub Chem

115371098

Tcmbank

TCMBANKIN058241

Etcm Ingredient

DTY

Itcmdb Generated

ITX-INGREDIENT-240D29E805E3ITX-INGREDIENT-20B5A9FF97A2

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

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)

Mol Wt

181.191

Smiles

C1=CC(=CC=C1CC(C(=O)O)N)O

Mol Log P

0.3465999999999994

Version

In Ch Ikey

OUYCCCASQSFEME-UHFFFAOYSA-N

Ob Score

57.554595

Suppress

Num Hdonors

Drug Likeness

0.628

Num Hacceptors

Isomeric Smiles

C1=CC(=CC=C1CC(C(=O)O)N)O

Molecule Weight

181.21

Canonical Smiles

C1=CC(=CC=C1CC(C(=O)O)N)O

Herb Alias Names

DL-Tyrosine556-03-6H-DL-Tyr-OH2-amino-3-(4-hydroxyphenyl)propanoic acidTyrosine, DL-(.+-.)-TyrosineMFCD00063074NSC 205006A9BAT9B32M

Molecular Weight

181.070

Molecular Weight

181.19 g/mol

Molecular Formula

C9H11NO3

Molecular Formula

C9H11NO3

Molecular Formula

C9H11NO3

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.012

Quantitative Estimate Of Drug Likeness（Qed）

0.628