Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27735
- Core Entity Id
- 34010
- Source Entity Count
- 1
- Preferred Name
- N-methyl-l-phenylalanine hydrochloride
- Name En
- Pubchem Id
- 18608559
- Smiles Canonical
- CNC(CC1=CC=CC=C1)C(=O)O.Cl
- Molecular Formula
- C10H14ClNO2
- Molecular Weight
- 215.6800
- Inchikey
- DFQSBSADGQZNFW-FVGYRXGTSA-N
- Inchi
- InChI=1S/C10H13NO2.ClH/c1-11-9(10(12)13)7-8-5-3-2-4-6-8;/h2-6,9,11H,7H2,1H3,(H,12,13);1H/t9-;/m0./s1
- Isomeric Smiles
- CN[C@@H](CC1=CC=CC=C1)C(=O)O.Cl
- Cas Id
- 2566-30-5
- Ob Score
- 81.8239
- Mol Logp
- 1.3235
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7970
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-Methyl-L-Phenylalanine Hydrochloride
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
N-Methyl-L-Phenylalanine Hydrochloride
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
N-Methyl-L-phenylalanine hydrochloride
Role
preferred
Source
TCMBank
Preferred
Yes
Name
N-Methyl-L-phenylalanine hydrochloride
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
N-methyl-l-phenylalanine hydrochloride
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
N-methyl-l-phenylalanine hydrochloride
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2S)-2-(methylamino)-3-phenylpropanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-(methylamino)-3-phenylpropanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-(methylamino)-3-phenylpropanoic acid hydrochloride
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-(methylamino)-3-phenylpropanoic acid hydrochloride
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-(Methylamino)-3-phenylpropanoic acid hydrochloride
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-(Methylamino)-3-phenylpropanoic acid hydrochloride
Role
alias
Source
HERB_v2
Preferred
No
Name
02452_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
2366-30-5
Role
alias
Source
HERB_v2
Preferred
No
Name
2366-30-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
66866-67-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
66866-67-9
Role
alias
Source
HERB_v2
Preferred
No
Name
H-L-MePhe-OH hydrochloride
Role
alias
Source
itcmdb_public
Preferred
No
Name
H-L-MePhe-OH hydrochloride
Role
alias
Source
HERB_v2
Preferred
No
Name
H-MePhe-OH HCl
Role
alias
Source
itcmdb_public
Preferred
No
Name
H-MePhe-OH HCl
Role
alias
Source
HERB_v2
Preferred
No
Name
H-N-Me-Phe-OH.HCl
Role
alias
Source
itcmdb_public
Preferred
No
Name
H-N-Me-Phe-OH.HCl
Role
alias
Source
HERB_v2
Preferred
No
Name
N-ALPHA-METHYL-L-PHENYLALANINE HYDROCHLORIDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-ALPHA-METHYL-L-PHENYLALANINE HYDROCHLORIDE
Role
alias
Source
HERB_v2
Preferred
No
Name
hydrochloride
Role
alias
Source
HERB_v2
Preferred
No
Name
hydrochloride
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-2-(methylamino)-3-phenylpropanoic acid(2S)-2-(methylamino)-3-phenylpropanoic acid hydrochloride(S)-2-(Methylamino)-3-phenylpropanoic acid hydrochloride02452_FLUKA2366-30-566866-67-9H-L-MePhe-OH hydrochlorideH-MePhe-OH HClH-N-Me-Phe-OH.HClN-ALPHA-METHYL-L-PHENYLALANINE HYDROCHLORIDEhydrochloride
Cross References
Trusted external identifiers retained for this final record.
Cas
2566-30-5
Herb
HBIN037102
Tcmsp
MOL013043
Sym Map
SMIT13748
Pub Chem
18608559
Tcmbank
TCMBANKIN029537
Etcm Ingredient
N-Methyl-L-phenylalanine hydrochloride
Itcmdb Generated
ITX-INGREDIENT-EA2078F14536
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H13NO2.ClH/c1-11-9(10(12)13)7-8-5-3-2-4-6-8;/h2-6,9,11H,7H2,1H3,(H,12,13);1H/t9-;/m0./s1
Mol Wt
215.68
Cas Id
2566-30-5
Smiles
CNC(CC1=CC=CC=C1)C(=O)O.Cl
Mol Log P
1.3235
Version
v1,v2
In Ch Ikey
DFQSBSADGQZNFW-FVGYRXGTSA-N
Ob Score
81.8238669281.82386781.824
Suppress
0
Num Hdonors
2
Drug Likeness
0.797
Num Hacceptors
2
Isomeric Smiles
CN[C@@H](CC1=CC=CC=C1)C(=O)O.Cl
Molecule Weight
179.24
Canonical Smiles
CNC(CC1=CC=CC=C1)C(=O)O.Cl
Herb Alias Names
2366-30-5(S)-2-(Methylamino)-3-phenylpropanoic acid hydrochloride66866-67-9N-ALPHA-METHYL-L-PHENYLALANINE HYDROCHLORIDEH-N-Me-Phe-OH.HClH-L-MePhe-OH hydrochloride(2S)-2-(methylamino)-3-phenylpropanoic acid hydrochloride(2S)-2-(methylamino)-3-phenylpropanoic acidhydrochlorideH-MePhe-OH HCl
Molecular Weight
179.090
Molecular Weight
179.22
Molecular Formula
C10H13NO2
Molecular Formula
C10H13NO2
Molecular Formula
C10H14ClNO2
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.209
Quantitative Estimate Of Drug Likeness（Qed）
0.722