Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 15Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2493
- Core Entity Id
- 5958
- Source Entity Count
- 1
- Preferred Name
- (2r)-2-amino-3-(4-aminophenyl)propionic acid
- Name En
- Pubchem Id
- 1268124
- Smiles Canonical
- C1=CC(=CC=C1CC(C(=O)O)N)N
- Molecular Formula
- C9H12N2O2
- Molecular Weight
- 180.2070
- Inchikey
- CMUHFUGDYMFHEI-MRVPVSSYSA-N
- Inchi
- InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m1/s1
- Isomeric Smiles
- C1=CC(=CC=C1C[C@H](C(=O)O)N)N
- Cas Id
- 2922-41-0
- Ob Score
- 65.0470
- Mol Logp
- 0.2232
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2R)-2-Amino-3-(4-Aminophenyl)Propionic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2R)-2-Amino-3-(4-Aminophenyl)Propionic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2R)-2-amino-3-(4-aminophenyl)propionic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R)-2-amino-3-(4-aminophenyl)propionic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2r)-2-amino-3-(4-aminophenyl)propionic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2r)-2-amino-3-(4-aminophenyl)propionic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2R)-2-Amino-3-(4-aminophenyl)propanoic acid hydrate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-2-Amino-3-(4-aminophenyl)propanoic acid hydrate
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R)-2-amino-3-(4-aminophenyl)propanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-2-amino-3-(4-aminophenyl)propanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-2-amino-3-(4-aminophenyl)propanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R)-3-(4-aminophenyl)-2-ammoniopropanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-3-(4-aminophenyl)-2-ammoniopropanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-2-Amino-3-(4-aminophenyl)propanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-2-Amino-3-(4-aminophenyl)propanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
102281-45-8
Role
alias
Source
HERB_v2
Preferred
No
Name
102281-45-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Amino-D-phenylalanine
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Amino-D-phenylalanine
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-4-Aminophenylalanine
Role
alias
Source
HERB_v2
Preferred
No
Name
D-4-Aminophenylalanine
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-4-aminophe
Role
alias
Source
HERB_v2
Preferred
No
Name
D-4-aminophe
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Phenylalanine, 4-amino-
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Phenylalanine, 4-amino-
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Amino-D-phenylalanine acid
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Amino-D-phenylalanine acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R)-2-Amino-3-(4-aminophenyl)propanoic acid hydrate(2R)-2-amino-3-(4-aminophenyl)propanoic acid(2R)-3-(4-aminophenyl)-2-ammoniopropanoate(R)-2-Amino-3-(4-aminophenyl)propanoic acid102281-45-84-Amino-D-phenylalanineD-4-AminophenylalanineD-4-aminopheD-Phenylalanine, 4-amino-p-Amino-D-phenylalanine acid
Cross References
Trusted external identifiers retained for this final record.
Cas
2922-41-0
Herb
HBIN006376
Tcmsp
MOL011662
Sym Map
SMIT12533
Pub Chem
1268124
Tcmbank
TCMBANKIN030621
Etcm Ingredient
(2R)-2-amino-3-(4-aminophenyl)propionic acid
Itcmdb Generated
ITX-INGREDIENT-70B0ED34061F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m1/s1
Mol Wt
180.207
Cas Id
2922-41-0
Smiles
C1=CC(=CC=C1CC(C(=O)O)N)N
Mol Log P
0.2232000000000003
Version
v1,v2
In Ch Ikey
CMUHFUGDYMFHEI-MRVPVSSYSA-N
Ob Score
65.04765.0474086765.047409
Suppress
0
Num Hdonors
3
Drug Likeness
0.58
Num Hacceptors
3
Isomeric Smiles
C1=CC(=CC=C1C[C@H](C(=O)O)N)N
Molecule Weight
180.23
Canonical Smiles
C1=CC(=CC=C1CC(C(=O)O)N)N
Herb Alias Names
102281-45-8(R)-2-Amino-3-(4-aminophenyl)propanoic acid4-Amino-D-phenylalanine(2R)-2-amino-3-(4-aminophenyl)propanoic acidD-Phenylalanine, 4-amino-D-4-Aminophenylalanine(2R)-3-(4-aminophenyl)-2-ammoniopropanoateD-4-aminophep-Amino-D-phenylalanine acid(2R)-2-Amino-3-(4-aminophenyl)propanoic acid hydrate
Molecular Weight
180.090
Molecular Weight
180.2
Molecular Formula
C9H12N2O2
Molecular Formula
C9H12N2O2
Molecular Formula
C9H12N2O2
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.018
Quantitative Estimate Of Drug Likeness（Qed）
0.580