Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 8Herb: 12Ingredient: 1Target: 13Links: 33
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24928
- Core Entity Id
- 30903
- Source Entity Count
- 1
- Preferred Name
- L-tyrosine
- Name En
- Pubchem Id
- 44134983
- Smiles Canonical
- C1=CC(=CC=C1CC(C(=O)O)N)O.Cl
- Molecular Formula
- C9H11NO3
- Molecular Weight
- 181.1910
- Inchikey
- OUYCCCASQSFEME-QMMMGPOBSA-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)/t8-/m0/s1
- Isomeric Smiles
- C1=CC(=CC=C1C[C@@H](C(=O)O)N)O
- Cas Id
- Ob Score
- Mol Logp
- 0.3466
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6280
- Polar Surface Area
- 83.5500
- Molecular Volume
- 147.8300
- Alogp
- -1.8470
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(S)-Tyrosine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
L-Tyrosine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Tyrosine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(S)-Tyrosine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(S)-Tyrosine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(s)-tyrosine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(s)-tyrosine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
L-Tyrosine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
L-tyrosine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
L-tyrosine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
L-tyrosine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tyrosine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
l-tyrosine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
半夏
Role
TCM_name
Source
TCMBank
Preferred
No
Name
韮子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Allium tuberosum Rottl
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
BAN XIA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Allium tuberosum Rottl
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Ternate Pinellia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(-)-a-Amino-p-hydroxyhydrocinnamate
Role
alias
Source
SymMap_v2
Preferred
No
Name
(-)-a-Amino-p-hydroxyhydrocinnamic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(-)-alpha-Amino-p-hydroxyhydrocinnamate
Role
alias
Source
SymMap_v2
Preferred
No
Name
(-)-alpha-Amino-p-hydroxyhydrocinnamic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-Amino-3-(4-hydroxyphenyl)propanoic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid; 3-(4-Hydroxyphenyl)-L-alanine
Role
alias
Source
SymMap_v2
Preferred
No
Name
(S)-2-Amino-3-(p-hydroxyphenyl)propionate
Role
alias
Source
SymMap_v2
Preferred
No
Name
(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(S)-3-(4-HYDROXYPHENYL)ALANINE
Role
alias
Source
SymMap_v2
Preferred
No
Name
(S)-3-(p-Hydroxyphenyl)alanine
Role
alias
Source
SymMap_v2
Preferred
No
Name
(S)-Tyrosine
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-Tyrosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-Tyrosine
Role
alias
Source
SymMap_v2
Preferred
No
Name
(S)-a-Amino-4-hydroxybenzenepropanoate
Role
alias
Source
SymMap_v2
Preferred
No
Name
(S)-a-Amino-4-hydroxybenzenepropanoic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(S)-alpha-Amino-4-hydroxybenzenepropanoate
Role
alias
Source
SymMap_v2
Preferred
No
Name
(S)-alpha-Amino-4-hydroxybenzenepropanoic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
002T606
Role
alias
Source
SymMap_v2
Preferred
No
Name
1207451-88-4
Role
alias
Source
SymMap_v2
Preferred
No
Name
140-43-2
Role
alias
Source
SymMap_v2
Preferred
No
Name
1991-85-1
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-Amino-3-(4-hydroxyphenyl)propanoic acid, (S)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-Amino-3-(p-hydroxyphenyl)propionic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-amino-3-(4-hydroxyphen yl)-2-amino-3-(4-hydroxyphenyl)-Propanoate
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-amino-3-(4-hydroxyphen yl)-2-amino-3-(4-hydroxyphenyl)-Propanoic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
25619-78-7
Role
alias
Source
SymMap_v2
Preferred
No
Name
2csm
Role
alias
Source
SymMap_v2
Preferred
No
Name
3-(4-Hydroxyphenyl)-L-alanine
Role
alias
Source
SymMap_v2
Preferred
No
Name
3-(p-Hydroxyphenyl)alanine
Role
alias
Source
SymMap_v2
Preferred
No
Name
4-HYDROXYPHENYLALANINE
Role
alias
Source
SymMap_v2
Preferred
No
Name
4-Hydroxy-L-phenylalanine
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxy-L-phenylalanine
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxy-L-phenylalanine
Role
alias
Source
SymMap_v2
Preferred
No
Name
42HK56048U
Role
alias
Source
SymMap_v2
Preferred
No
Name
46209-14-7
Role
alias
Source
SymMap_v2
Preferred
No
Name
4ts1
Role
alias
Source
SymMap_v2
Preferred
No
Name
60-18-4
Role
alias
Source
HERB_v2
Preferred
No
Name
60-18-4
Role
alias
Source
SymMap_v2
Preferred
No
Name
60-18-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
88844-EP2289892A1
Role
alias
Source
SymMap_v2
Preferred
No
Name
88844-EP2305825A1
Role
alias
Source
SymMap_v2
Preferred
No
Name
AB0010718
Role
alias
Source
SymMap_v2
Preferred
No
Name
AB00245
Role
alias
Source
SymMap_v2
Preferred
No
Name
AB1002647
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC-11295
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1L1LPI
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1Q4U7L
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1Q4U7M
Role
alias
Source
SymMap_v2
Preferred
No
Name
AI3-09055
Role
alias
Source
SymMap_v2
Preferred
No
Name
AJ-18630
Role
alias
Source
SymMap_v2
Preferred
No
Name
AK-93419
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS005216971
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS005216971
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS010400205
Role
alias
Source
SymMap_v2
Preferred
No
Name
AM82304
Role
alias
Source
SymMap_v2
Preferred
No
Name
AN-23632
Role
alias
Source
SymMap_v2
Preferred
No
Name
ANW-33439
Role
alias
Source
SymMap_v2
Preferred
No
Name
AS-11772
Role
alias
Source
SymMap_v2
Preferred
No
Name
BB_NC-1194
Role
alias
Source
SymMap_v2
Preferred
No
Name
BC675189
Role
alias
Source
SymMap_v2
Preferred
No
Name
BDBM18129
Role
alias
Source
SymMap_v2
Preferred
No
Name
BG00602077
Role
alias
Source
SymMap_v2
Preferred
No
Name
BP-13285
Role
alias
Source
SymMap_v2
Preferred
No
Name
Benzenepropanoate
Role
alias
Source
SymMap_v2
Preferred
No
Name
Benzenepropanoic acid, alpha-amino-4-hydroxy-, (S)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
C00082
Role
alias
Source
SymMap_v2
Preferred
No
Name
CAS-60-18-4
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:17895
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEMBL925
Role
alias
Source
SymMap_v2
Preferred
No
Name
CS-8013
Role
alias
Source
SymMap_v2
Preferred
No
Name
CTK1H0401
Role
alias
Source
SymMap_v2
Preferred
No
Name
CTK8H2070
Role
alias
Source
SymMap_v2
Preferred
No
Name
CTK8H2070
Role
alias
Source
TCMBank
Preferred
No
Name
D00022
Role
alias
Source
SymMap_v2
Preferred
No
Name
D01CRB
Role
alias
Source
SymMap_v2
Preferred
No
Name
DB-029987
Role
alias
Source
SymMap_v2
Preferred
No
Name
DB00135
Role
alias
Source
SymMap_v2
Preferred
No
Name
DD69927C-C6A8-4BC6-8E9A-0AB423B176E7
Role
alias
Source
SymMap_v2
Preferred
No
Name
DL-3-[4-HYDROXYPHENYL]ALANINE
Role
alias
Source
SymMap_v2
Preferred
No
Name
DSSTox_CID_3730
Role
alias
Source
SymMap_v2
Preferred
No
Name
DSSTox_GSID_23730
Role
alias
Source
SymMap_v2
Preferred
No
Name
DSSTox_RID_77170
Role
alias
Source
SymMap_v2
Preferred
No
Name
DTXSID1023730
Role
alias
Source
SymMap_v2
Preferred
No
Name
DTY
Role
alias
Source
SymMap_v2
Preferred
No
Name
EINECS 200-460-4
Role
alias
Source
SymMap_v2
Preferred
No
Name
F8889-8713
Role
alias
Source
SymMap_v2
Preferred
No
Name
FEMA No. 3736
Role
alias
Source
SymMap_v2
Preferred
No
Name
FT-0628034
Role
alias
Source
SymMap_v2
Preferred
No
Name
Free-Form L-Tyrosine
Role
alias
Source
SymMap_v2
Preferred
No
Name
GTPL4791
Role
alias
Source
SymMap_v2
Preferred
No
Name
H-L-TYR-OH
Role
alias
Source
SymMap_v2
Preferred
No
Name
H-Tyr
Role
alias
Source
SymMap_v2
Preferred
No
Name
H-Tyr-OH
Role
alias
Source
SymMap_v2
Preferred
No
Name
H-Tyr-OH
Role
alias
Source
itcmdb_public
Preferred
No
Name
H-Tyr-OH
Role
alias
Source
HERB_v2
Preferred
No
Name
HSDB 2003
Role
alias
Source
SymMap_v2
Preferred
No
Name
HY-N0473
Role
alias
Source
SymMap_v2
Preferred
No
Name
J-521656
Role
alias
Source
SymMap_v2
Preferred
No
Name
KB-53421
Role
alias
Source
SymMap_v2
Preferred
No
Name
KSC270I0D
Role
alias
Source
SymMap_v2
Preferred
No
Name
L- Tyrosine
Role
alias
Source
TCMBank
Preferred
No
Name
L-2-Amino-3-(4-hydroxyphenyl)propanoic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-2-Amino-3-(4-hydroxyphenyl)propionic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-2-Amino-3-p-hydroxyphenylpropanoic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-3-(4-HYDROXYPHENYL)ALANINE
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-BETA-(P-HYDROXYPHENYL)ALANINE
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Phenylalanine, 4-hydroxy-
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-TYR-OH
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-TYROSINE (A)
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-TYROSINE (S)
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyr
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyrosin
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyrosine (9CI)
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyrosine (JAN)
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyrosine (JP17)
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyrosine, >=97%, FG
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyrosine, BioUltra, >=99.0% (NT)
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyrosine, Cell Culture Reagent
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyrosine, PharmaGrade, Ajinomoto, EP, JP, USP, manufactured under appropriate GMP controls for pharma or biopharmaceutical production, suitable for cell culture
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyrosine, SAJ special grade, >=99.0%
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyrosine, United States Pharmacopeia (USP) Reference Standard
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyrosine, Vetec(TM) reagent grade, >=98%
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyrosine, Vetec(TM), 98.5%
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyrosine, certified reference material, TraceCERT(R)
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyrosine, from non-animal source, meets EP, USP testing specifications, suitable for cell culture, >=99.0%
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyrosine, homopolymer
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyrosine, monomer
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyrosine, reagent grade, >=98% (HPLC)
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Tyrosine;H-Tyr-OH
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-[U-14C]Tyr
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-p-Tyrosine
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-p-Tyrosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-p-Tyrosine
Role
alias
Source
HERB_v2
Preferred
No
Name
L-tyrosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-tyrosine
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-tyrosine
Role
alias
Source
HERB_v2
Preferred
No
Name
LS-2336
Role
alias
Source
SymMap_v2
Preferred
No
Name
M-3936
Role
alias
Source
SymMap_v2
Preferred
No
Name
M02963
Role
alias
Source
SymMap_v2
Preferred
No
Name
MCULE-2932088896
Role
alias
Source
SymMap_v2
Preferred
No
Name
MFCD00002606
Role
alias
Source
SymMap_v2
Preferred
No
Name
Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs
Role
alias
Source
SymMap_v2
Preferred
No
Name
Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs, oxidized with hydrogen peroxide
Role
alias
Source
SymMap_v2
Preferred
No
Name
Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs, oxidized with hydrogen peroxide, <3 kd fraction
Role
alias
Source
SymMap_v2
Preferred
No
Name
Melanin synthesized from Tyr substrate catalyzed by tyrosinase, brominated with N-bromosuccinimide
Role
alias
Source
SymMap_v2
Preferred
No
Name
Melanin synthesized from Tyr substrate catalyzed by tyrosinase, sulfonated using sulfur trioxide/DMF complex for 1.5-7 hours
Role
alias
Source
SymMap_v2
Preferred
No
Name
MolPort-001-792-016
Role
alias
Source
SymMap_v2
Preferred
No
Name
N-acetyl-o-(dihydroxymethylsilyl)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00159350-02
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00159350-03
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00344525-01
Role
alias
Source
SymMap_v2
Preferred
No
Name
NSC 82624
Role
alias
Source
SymMap_v2
Preferred
No
Name
OUYCCCASQSFEME-QMMMGPOBSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
P-HYDROXY-L-PHENYLALANINE
Role
alias
Source
SymMap_v2
Preferred
No
Name
P-HYDROXYPHENYL-ALPHA-AMINOPROPIONIC ACID
Role
alias
Source
SymMap_v2
Preferred
No
Name
Propanoic acid, 2-amino-3-(4-hydroxyphenyl)-, (S)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
PubChem14347
Role
alias
Source
SymMap_v2
Preferred
No
Name
RP00152
Role
alias
Source
SymMap_v2
Preferred
No
Name
RP24236
Role
alias
Source
SymMap_v2
Preferred
No
Name
RTR-037233
Role
alias
Source
SymMap_v2
Preferred
No
Name
Rxosine
Role
alias
Source
SymMap_v2
Preferred
No
Name
SCHEMBL1581
Role
alias
Source
SymMap_v2
Preferred
No
Name
SCHEMBL246904
Role
alias
Source
SymMap_v2
Preferred
No
Name
SCHEMBL246904
Role
alias
Source
TCMBank
Preferred
No
Name
ST2413196
Role
alias
Source
SymMap_v2
Preferred
No
Name
TR-037233
Role
alias
Source
SymMap_v2
Preferred
No
Name
TYR NH3+ COOH
Role
alias
Source
SymMap_v2
Preferred
No
Name
TYROSIN HYDROCHLORIDE
Role
alias
Source
TCMBank
Preferred
No
Name
TYROSIN HYDROCHLORIDE
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tirosina [Spanish]
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tox21_111594
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tox21_111594_1
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tyrosine (L-Tyrosine)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tyrosine (USP/INN)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tyrosine (VAN)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tyrosine Power
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tyrosine [USAN:INN]
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tyrosine, European Pharmacopoeia (EP) Reference Standard
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tyrosine, L-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tyrosine, L-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tyrosine, L-
Role
alias
Source
HERB_v2
Preferred
No
Name
Tyrosine, L-(8CI)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tyrosinum
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tyrosinum [Latin]
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-42HK56048U
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-A9BAT9B32M component OUYCCCASQSFEME-QMMMGPOBSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
Y9454
Role
alias
Source
SymMap_v2
Preferred
No
Name
Z1250208672
Role
alias
Source
SymMap_v2
Preferred
No
Name
ZINC266964
Role
alias
Source
SymMap_v2
Preferred
No
Name
alpha-Amino-4-hydroxybenzenepropanoic acid, (S)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
alpha-Amino-beta-(4-hydroxyphenyl)propionic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
beta-(p-Hydroxyphenyl)alanine
Role
alias
Source
SymMap_v2
Preferred
No
Name
bmse000051
Role
alias
Source
SymMap_v2
Preferred
No
Name
p-Tyrosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Tyrosine
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Tyrosine
Role
alias
Source
SymMap_v2
Preferred
No
Name
s4608
Role
alias
Source
SymMap_v2
Preferred
No
Name
tirosina
Role
alias
Source
SymMap_v2
Preferred
No
Name
tyr
Role
alias
Source
SymMap_v2
Preferred
No
Name
tyrosine
Role
alias
Source
SymMap_v2
Preferred
No
Name
tyrosine
Role
alias
Source
HERB_v2
Preferred
No
Name
tyrosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
13.补虚药(60-62)
Role
level1_name
Source
TCMBank
Preferred
No
Name
tonifying and replenishing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.补阳药(22-23)
Role
level2_name
Source
TCMBank
Preferred
No
Name
yang-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(S)-TyrosineTyrosine半夏韮子Allium tuberosum RottlBAN XIATernate Pinellia(-)-a-Amino-p-hydroxyhydrocinnamate(-)-a-Amino-p-hydroxyhydrocinnamic acid(-)-alpha-Amino-p-hydroxyhydrocinnamate(-)-alpha-Amino-p-hydroxyhydrocinnamic acid(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid(S)-2-Amino-3-(4-hydroxyphenyl)propanoic acid(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid; 3-(4-Hydroxyphenyl)-L-alanine(S)-2-Amino-3-(p-hydroxyphenyl)propionate(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid(S)-3-(4-HYDROXYPHENYL)ALANINE(S)-3-(p-Hydroxyphenyl)alanine(S)-a-Amino-4-hydroxybenzenepropanoate(S)-a-Amino-4-hydroxybenzenepropanoic acid(S)-alpha-Amino-4-hydroxybenzenepropanoate(S)-alpha-Amino-4-hydroxybenzenepropanoic acid002T6061207451-88-4140-43-21991-85-12-Amino-3-(4-hydroxyphenyl)propanoic acid, (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid2-amino-3-(4-hydroxyphen yl)-2-amino-3-(4-hydroxyphenyl)-Propanoate2-amino-3-(4-hydroxyphen yl)-2-amino-3-(4-hydroxyphenyl)-Propanoic acid25619-78-72csm3-(4-Hydroxyphenyl)-L-alanine3-(p-Hydroxyphenyl)alanine4-HYDROXYPHENYLALANINE4-Hydroxy-L-phenylalanine42HK56048U46209-14-74ts160-18-488844-EP2289892A188844-EP2305825A1AB0010718AB00245AB1002647AC-11295AC1L1LPIAC1Q4U7LAC1Q4U7MAI3-09055AJ-18630AK-93419AKOS005216971AKOS010400205AM82304AN-23632ANW-33439AS-11772BB_NC-1194BC675189BDBM18129BG00602077BP-13285BenzenepropanoateBenzenepropanoic acid, alpha-amino-4-hydroxy-, (S)-C00082CAS-60-18-4CHEBI:17895CHEMBL925CS-8013CTK1H0401CTK8H2070D00022D01CRBDB-029987DB00135DD69927C-C6A8-4BC6-8E9A-0AB423B176E7DL-3-[4-HYDROXYPHENYL]ALANINEDSSTox_CID_3730DSSTox_GSID_23730DSSTox_RID_77170DTXSID1023730DTYEINECS 200-460-4F8889-8713FEMA No. 3736FT-0628034Free-Form L-TyrosineGTPL4791H-L-TYR-OHH-TyrH-Tyr-OHHSDB 2003HY-N0473J-521656KB-53421KSC270I0DL- TyrosineL-2-Amino-3-(4-hydroxyphenyl)propanoic acidL-2-Amino-3-(4-hydroxyphenyl)propionic acidL-2-Amino-3-p-hydroxyphenylpropanoic acidL-3-(4-HYDROXYPHENYL)ALANINEL-BETA-(P-HYDROXYPHENYL)ALANINEL-Phenylalanine, 4-hydroxy-L-TYR-OHL-TYROSINE (A)L-TYROSINE (S)L-TyrL-TyrosinL-Tyrosine (9CI)L-Tyrosine (JAN)L-Tyrosine (JP17)L-Tyrosine, >=97%, FGL-Tyrosine, BioUltra, >=99.0% (NT)L-Tyrosine, Cell Culture ReagentL-Tyrosine, PharmaGrade, Ajinomoto, EP, JP, USP, manufactured under appropriate GMP controls for pharma or biopharmaceutical production, suitable for cell cultureL-Tyrosine, SAJ special grade, >=99.0%L-Tyrosine, United States Pharmacopeia (USP) Reference StandardL-Tyrosine, Vetec(TM) reagent grade, >=98%L-Tyrosine, Vetec(TM), 98.5%L-Tyrosine, certified reference material, TraceCERT(R)L-Tyrosine, from non-animal source, meets EP, USP testing specifications, suitable for cell culture, >=99.0%L-Tyrosine, homopolymerL-Tyrosine, monomerL-Tyrosine, reagent grade, >=98% (HPLC)L-Tyrosine;H-Tyr-OHL-[U-14C]TyrL-p-TyrosineLS-2336M-3936M02963MCULE-2932088896MFCD00002606Melanin 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 hoursMolPort-001-792-016N-acetyl-o-(dihydroxymethylsilyl)-NCGC00159350-02NCGC00159350-03NCGC00344525-01NSC 82624OUYCCCASQSFEME-QMMMGPOBSA-NP-HYDROXY-L-PHENYLALANINEP-HYDROXYPHENYL-ALPHA-AMINOPROPIONIC ACIDPropanoic acid, 2-amino-3-(4-hydroxyphenyl)-, (S)-PubChem14347RP00152RP24236RTR-037233RxosineSCHEMBL1581SCHEMBL246904ST2413196TR-037233TYR NH3+ COOHTYROSIN HYDROCHLORIDETirosina [Spanish]Tox21_111594Tox21_111594_1Tyrosine (L-Tyrosine)Tyrosine (USP/INN)Tyrosine (VAN)Tyrosine PowerTyrosine [USAN:INN]Tyrosine, European Pharmacopoeia (EP) Reference StandardTyrosine, L-Tyrosine, L-(8CI)TyrosinumTyrosinum [Latin]UNII-42HK56048UUNII-A9BAT9B32M component OUYCCCASQSFEME-QMMMGPOBSA-NY9454Z1250208672ZINC266964alpha-Amino-4-hydroxybenzenepropanoic acid, (S)-alpha-Amino-beta-(4-hydroxyphenyl)propionic acidbeta-(p-Hydroxyphenyl)alaninebmse000051p-Tyrosines4608tirosinatyr13.补虚药(60-62)tonifying and replenishing medicinal2.补阳药(22-23)yang-tonifying medicinal
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033622HBIN045032
Tcmid
22153244743336233363
Sym Map
SMIT02152SMIT18117SMIT27356
Tcm Id
2885
Pub Chem
441349836057
Tcmbank
TCMBANKIN001156TCMBANKIN039470TCMBANKIN052371
Drug Bank
DB00135
Etcm Ingredient
L-(-)-TyrosineL-tyrosine
Itcmdb Generated
ITX-INGREDIENT-0CE2A4C2E547ITX-INGREDIENT-1EB3930E5F1BITX-INGREDIENT-372EE2207CEFITX-INGREDIENT-61BD9CAF6DBCITX-INGREDIENT-E1527696C8E5
Attributes
Merged source attributes and domain-specific metadata.
Ic
2.9312
Jx
2.57033
Jy
2.66457
Bic
0.71712
Cic
0.76923
Phi
3.13366
Sic
0.79212
Log D
-1.791
Sc 0
13
Sc 1
13
Sc 2
17
Type
Blood ingredients,Other ingredientsBlood ingredients,Other ingredients,Metabolic ingredientsOther ingredients
Alog P
-1.847
Chi 0
9.84493
Chi 1
6.09222
Chi 2
5.5829
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)/t8-/m0/s1
Mol Wt
181.191
Pmi X
27.1975
Energy
17.27
Sc 3 C
4
Sc 3 P
18
Smiles
C1=CC(=CC=C1CC(C(=O)O)N)O.Clc1([H])c(C([H])([H])[C@]([H])(N([H])[H])C(O[H])=O)c([H])c([H])c(O[H])c1[H]
Zagreb
60
37 Flag
37
Chi 3 C
1.06183
Chi 3 P
3.97861
Chi V 0
6.97388
Chi V 1
3.85651
Chi V 2
2.8153
C Count
9
Kappa 1
11.0769
Kappa 2
5.02422
Kappa 3
3.7037
Mol Log P
0.3465999999999994
N Count
1
O Count
3
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2v2
Alog P Mr
41.267
Chi 3 Ch
0
Dipole X
2.14465
Dipole Y
-3.87019
Dipole Z
-0.73796
Iac Mean
1.61254
In Ch Ikey
OUYCCCASQSFEME-QMMMGPOBSA-N
Is Chiral
0
Suppress
0
Tcm Name
半夏韮子
Admet Bbb
-1.311
Chi V 3 C
0.36294
Chi V 3 P
1.70915
Es Sum D O
10.396
Es Sum T N
0
E Adj Equ
122.405
E Adj Mag
172.974
Hba Count
1
Hbd Count
2
Iac Total
38.7011
Jurs Rasa
0.44105
Jurs Rncg
0.24052
Jurs Rncs
12.6281
Jurs Rpcg
0.62326
Jurs Rpcs
5.11814
Jurs Rpsa
0.55894
Jurs Sasa
341.164
Jurs Tasa
150.471
Jurs Tpsa
190.693
Num Atoms
13
Num Bonds
13
Num Rings
1
Shadow Xy
51.8288
Shadow Xz
36.8528
Shadow Yz
19.214
Shadow Nu
2.72532
Tcm Name2
Allium tuberosum RottlBAN XIA
V Adj Equ
104.676
V Adj Mag
122.211
Mol2 Path
/TCM_database/13.补虚药(60-62)/2.补阳药(22-23)/韮子/Allium tuberosum Rottl/structure/l-tyrosine.mol2/TCM_database/2007_3d_all/22169.mol2
Reference
660, 5508
Chi V 3 Ch
0
Dipole Mag
4.4858
Es Sum Aa N
0
Es Sum Aa O
0
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
17.475
Es Sum Ss O
0
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
9.85496
Kappa 2 Am
4.13372
Kappa 3 Am
2.94543
Num Hdonors
3
Num Chains
4
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
1
Num Rings7
0
Num Rings8
0
Es Count D O
1
Es Count T N
0
Es Sum Aa Ch
6.309
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
0.958
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
0
Es Sum Dss C
-1.021
Es Sum S Ch3
0
Es Sum S Nh2
5.324
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-293.342
Jurs Dpsa 3
67.1411
Jurs Fnsa 1
0.92991
Jurs Fnsa 2
-1.39539
Jurs Fnsa 3
-0.18625
Jurs Fpsa 1
0.07008
Jurs Fpsa 2
0.03098
Jurs Fpsa 3
0.01055
Jurs Pnsa 1
317.253
Jurs Pnsa 2
-476.054
Jurs Pnsa 3
-63.5388
Jurs Ppsa 1
23.9111
Jurs Ppsa 3
3.60229
Jurs Wnsa 1
108.235
Jurs Wnsa 2
-162.413
Jurs Wnsa 3
-21.6771
Jurs Wpsa 1
8.1576
Jurs Wpsa 3
1.22897
Num Pi Bonds
0
Tcm Name En
Allium tuberosum RottlTernate Pinellia
Level1 Name
13.补虚药(60-62)
Level2 Name
2.补阳药(22-23)
Admet Psa 2 D
85.471
Es Count Aa N
0
Es Count Aa O
0
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
2
Es Count Ss O
0
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
0.273
Es Sum Ss Nh2
0
Es Sum Sss Ch
-0.885
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
4
Num H Donors
3
Admet Alog P98
0.632
Admet Ext Ppb
-8.87817
Drug Likeness
0.628
Es Count Aa Ch
4
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
2
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
0
Es Count Dss C
1
Es Count S Ch3
0
Es Count S Nh2
1
Es Count S Nh3
0
Es Count Ss Nh
0
Es Count Sss N
0
Es Sum Sssss P
0
Num Hacceptors
3
Num Fragments
1
Num Hydrogens
11
Num Ring Bonds
6
Organic Count
13
Rad Of Gyration
2.36326
Shadow Xyfrac
0.70967
Shadow Xzfrac
0.69848
Shadow Yzfrac
0.717
Strain Energy
16.56
Es Count Ss Ch2
1
Es Count Ss Nh2
0
Es Count Sss Ch
1
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
181.074
Molecular Sasa
352.207
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
11.9913
Shadow Ylength
6.09038
Shadow Zlength
4.39994
Level1 Name En
tonifying and replenishing medicinal
Level2 Name En
yang-tonifying medicinal
Admet Bbb Level
3
Isomeric Smiles
C1=CC(=CC=C1C[C@@H](C(=O)O)N)O
Molecular Savol
309.962
Num Atom Classes
11
Num Bridge Bonds
0
Num H Acceptors
4
Num Repeat Units
0
Admet Ext Cyp2 D6
-5.17403
Admet Solubility
-0.866
Canonical Smiles
C1=CC(=CC=C1CC(C(=O)O)N)O
Herb Alias Names
tyrosine60-18-4(S)-Tyrosinep-TyrosineH-Tyr-OHL-p-Tyrosine(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid4-Hydroxy-L-phenylalanineTyrosine, L-
Minimized Energy
0.71
Molecular Weight
181.070217.050
Molecular Volume
147.83
Molecular Weight
181.189217.65 g/mol
Molecule Formula
C9H11NO3
Num Macro Chains
0
Molecular Formula
C9H11NO3C9H12ClNO3
Molecular Formula
C9H11NO3C9H12ClNO3
Molecular Formula
C9H11NO3
Num Rotatable Bonds
3
Num Aromatic Bonds
6
Num Aromatic Rings
1
Num Explicit Atoms
13
Num Explicit Bonds
13
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
1
Num Rotatable Bonds
3
Molecular Polar Sasa
167.025
Num Bridge Head Atoms
0
Num Chain Assemblies
2
Num Meso Stereo Atoms
0
Molecular Solubility
-1.656
Admet Ext Hepatotoxic
-10.5191
Admet Unknown Alog P98
0
Molecular Surface Area
190.17
Num Explicit Hydrogens
0
Num H Donors Lipinski
4
Num Pseudo Stereo Atoms
0
Admet Absorption Level
0
Admet Solubility Level
4
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
4
Molecular Polar Surface Area
83.55
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.474
Admet Ext Ppb Applicability#Md
8.77755
Fda Maximum Daily Dose (Fdamdd)
0.012
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
15.3294
Admet Ext Ppb Applicability#Mdpvalue
0.998839
Molecular Fractional Polar Surface Area
0.439
Admet Ext Hepatotoxic Applicability#Md
6.42114
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.000001
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.999752
Quantitative Estimate Of Drug Likeness（Qed）
0.628