Relationship Network
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26427
- Core Entity Id
- 32564
- Source Entity Count
- 1
- Preferred Name
- M-hydroxyphenylglycine
- Name En
- Pubchem Id
- 1217
- Smiles Canonical
- C1=CC(=CC(=C1)O)NCC(=O)O
- Molecular Formula
- C8H9NO3
- Molecular Weight
- 167.1640
- Inchikey
- DQLYTFPAEVJTFM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H9NO3/c9-7(8(11)12)5-2-1-3-6(10)4-5/h1-4,7,10H,9H2,(H,11,12)
- Isomeric Smiles
- C1=CC(=CC(=C1)O)C(C(=O)O)N
- Cas Id
- Ob Score
- Mol Logp
- 0.4766
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
M-Hydroxyphenylglycine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
M-hydroxyphenylglycine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
M-hydroxyphenylglycine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
m-Hydroxyphenylglycine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
m-hydroxyphenylglycine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(RS)-3-HYDROXYPHENYLGLYCINE
Role
alias
Source
HERB_v2
Preferred
No
Name
(RS)-3-HYDROXYPHENYLGLYCINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Rac)-3-Hydroxyphenylglycine
Role
alias
Source
HERB_v2
Preferred
No
Name
(Rac)-3-Hydroxyphenylglycine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3-hydroxyphenyl)glycine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3-hydroxyphenyl)glycine
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Amino-2-(3-hydroxyphenyl)acetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Amino-2-(3-hydroxyphenyl)acetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
31932-87-3
Role
alias
Source
HERB_v2
Preferred
No
Name
31932-87-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
3HPG
Role
alias
Source
HERB_v2
Preferred
No
Name
3HPG
Role
alias
Source
itcmdb_public
Preferred
No
Name
Amino(3-hydroxyphenyl)acetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Amino(3-hydroxyphenyl)acetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL88124
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL88124
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-2-(3-Hydroxyphenyl)glycine
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-2-(3-Hydroxyphenyl)glycine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(RS)-3-HYDROXYPHENYLGLYCINE(Rac)-3-Hydroxyphenylglycine2-(3-hydroxyphenyl)glycine2-Amino-2-(3-hydroxyphenyl)acetic acid31932-87-33HPGAmino(3-hydroxyphenyl)acetic acidCHEMBL88124DL-2-(3-Hydroxyphenyl)glycine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035491
Npass
NPC6029
Tcmid
10623
Sym Map
SMIT25216
Pub Chem
1217
Tcmbank
TCMBANKIN035134
Etcm Ingredient
m-Hydroxyphenylglycine
Itcmdb Generated
ITX-INGREDIENT-54D3203256DEITX-INGREDIENT-9C70C3DDB734
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H9NO3/c9-7(8(11)12)5-2-1-3-6(10)4-5/h1-4,7,10H,9H2,(H,11,12)
Mol Wt
167.164
Smiles
C1=CC(=CC(=C1)O)NCC(=O)O
Mol Log P
0.4765999999999997
Version
v2
In Ch Ikey
DQLYTFPAEVJTFM-UHFFFAOYSA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.598
Num Hacceptors
3
Isomeric Smiles
C1=CC(=CC(=C1)O)C(C(=O)O)N
Canonical Smiles
C1=CC(=CC(=C1)O)C(C(=O)O)N
Herb Alias Names
31932-87-32-Amino-2-(3-hydroxyphenyl)acetic acid(RS)-3-HYDROXYPHENYLGLYCINEAmino(3-hydroxyphenyl)acetic acid2-(3-hydroxyphenyl)glycine(Rac)-3-HydroxyphenylglycineCHEMBL881243HPGDL-2-(3-Hydroxyphenyl)glycine
Molecular Weight
167.060
Molecular Formula
C8H9NO3
Molecular Formula
C8H9NO3
Molecular Formula
C8H9NO3
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.024
Quantitative Estimate Of Drug Likeness（Qed）
0.625