Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Ingredient: 1Target: 2Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29743
- Core Entity Id
- 36243
- Source Entity Count
- 1
- Preferred Name
- Php-b
- Name En
- Pubchem Id
- 13706
- Smiles Canonical
- C1=CC(=CC=C1CC(C(=O)O)N)[N+](=O)[O-]
- Molecular Formula
- C9H10N2O4
- Molecular Weight
- 210.1890
- Inchikey
- GTVVZTAFGPQSPC-QMMMGPOBSA-N
- Inchi
- InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1
- Isomeric Smiles
- C1=CC(=CC=C1C[C@@H](C(=O)O)N)[N+](=O)[O-]
- Cas Id
- Ob Score
- Mol Logp
- 0.5492
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5570
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Php- B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
PHP- B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Php- B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Php-b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Php-b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2S)-2-amino-3-(4-nitrophenyl)propanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-amino-3-(4-nitrophenyl)propanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(s)-2-amino-3-(4-nitrophenyl)propanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(s)-2-amino-3-(4-nitrophenyl)propanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Nitro-3-phenyl-L-alanine
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Nitro-3-phenyl-L-alanine
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Nitro-L-Phenylalanine Hydrate
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Nitro-L-Phenylalanine Hydrate
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Nitro-L-phenylalanine
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Nitro-L-phenylalanine
Role
alias
Source
HERB_v2
Preferred
No
Name
949-99-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
949-99-5
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Phenylalanine, 4-nitro-
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Phenylalanine, 4-nitro-
Role
alias
Source
HERB_v2
Preferred
No
Name
L-p-Nitrophenylalanine
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-p-Nitrophenylalanine
Role
alias
Source
HERB_v2
Preferred
No
Name
h-phe(4-no2)-oh
Role
alias
Source
HERB_v2
Preferred
No
Name
h-phe(4-no2)-oh
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-nitro-l-phenylalanine
Role
alias
Source
HERB_v2
Preferred
No
Name
p-nitro-l-phenylalanine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Php- B(2S)-2-amino-3-(4-nitrophenyl)propanoic acid(s)-2-amino-3-(4-nitrophenyl)propanoic acid4-Nitro-3-phenyl-L-alanine4-Nitro-L-Phenylalanine Hydrate4-Nitro-L-phenylalanine949-99-5L-Phenylalanine, 4-nitro-L-p-Nitrophenylalanineh-phe(4-no2)-ohp-nitro-l-phenylalanine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039635
Tcmid
38874
Sym Map
SMIT26107
Pub Chem
13706
Tcmbank
TCMBANKIN001667
Itcmdb Generated
ITX-INGREDIENT-ABAC0F403E0F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1
Mol Wt
210.189
Smiles
C1=CC(=CC=C1CC(C(=O)O)N)[N+](=O)[O-]
Mol Log P
0.5492000000000001
Version
v2
In Ch Ikey
GTVVZTAFGPQSPC-QMMMGPOBSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.557
Num Hacceptors
4
Isomeric Smiles
C1=CC(=CC=C1C[C@@H](C(=O)O)N)[N+](=O)[O-]
Canonical Smiles
C1=CC(=CC=C1CC(C(=O)O)N)[N+](=O)[O-]
Herb Alias Names
4-Nitro-L-phenylalanine949-99-5h-phe(4-no2)-oh(s)-2-amino-3-(4-nitrophenyl)propanoic acid(2S)-2-amino-3-(4-nitrophenyl)propanoic acid4-Nitro-3-phenyl-L-alanine4-Nitro-L-Phenylalanine HydrateL-Phenylalanine, 4-nitro-L-p-Nitrophenylalaninep-nitro-l-phenylalanine
Molecular Formula
C9H10N2O4
Molecular Formula
C9H10N2O4
Num Rotatable Bonds
4