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
Herb: 1Ingredient: 1Target: 3Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20526
- Core Entity Id
- 25997
- Source Entity Count
- 1
- Preferred Name
- Glycyl-phenylalanine
- Name En
- Pubchem Id
- 69844028
- Smiles Canonical
- CC(C(=O)O)N(C1=CC=CC=C1)C(=O)CN
- Molecular Formula
- C11H14N2O3
- Molecular Weight
- 222.2440
- Inchikey
- JBCLFWXMTIKCCB-VIFPVBQESA-N
- Inchi
- InChI=1S/C11H14N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
- Isomeric Smiles
- C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CN
- Cas Id
- Ob Score
- Mol Logp
- -0.2428
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.6410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glycyl- Phenylalanine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Glycyl- Phenylalanine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Glycyl- phenylalanine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Glycyl-phenylalanine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Glycyl-phenylalanine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-(2-Aminoacetamido)-3-phenylpropanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-(2-Aminoacetamido)-3-phenylpropanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3321-03-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
3321-03-7
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL299889
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL299889
Role
alias
Source
HERB_v2
Preferred
No
Name
Gly-Phe
Role
alias
Source
itcmdb_public
Preferred
No
Name
Gly-Phe
Role
alias
Source
HERB_v2
Preferred
No
Name
Glycyl-L-phenylalanine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glycyl-L-phenylalanine
Role
alias
Source
HERB_v2
Preferred
No
Name
Glycylphenylalanine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glycylphenylalanine
Role
alias
Source
HERB_v2
Preferred
No
Name
H-Gly-Phe-OH
Role
alias
Source
HERB_v2
Preferred
No
Name
H-Gly-Phe-OH
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Glycyl-3-phenylalanine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Glycyl-3-phenylalanine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Glycyl- Phenylalanine(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid(S)-2-(2-Aminoacetamido)-3-phenylpropanoic acid3321-03-7CHEMBL299889Gly-PheGlycyl-L-phenylalanineGlycylphenylalanineH-Gly-Phe-OHN-Glycyl-3-phenylalanine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028175
Tcmid
35129
Sym Map
SMIT24294
Pub Chem
6984402892953
Tcmbank
TCMBANKIN001966
Itcmdb Generated
ITX-INGREDIENT-2CAC42E4E6CA
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H14N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
Mol Wt
222.244
Smiles
CC(C(=O)O)N(C1=CC=CC=C1)C(=O)CN
Mol Log P
-0.2427999999999996
Version
v2
In Ch Ikey
JBCLFWXMTIKCCB-VIFPVBQESA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.641
Num Hacceptors
3
Isomeric Smiles
C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CN
Canonical Smiles
C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CN
Herb Alias Names
Glycyl-L-phenylalanineGly-Phe3321-03-7(S)-2-(2-Aminoacetamido)-3-phenylpropanoic acidGlycylphenylalanineH-Gly-Phe-OHN-Glycyl-3-phenylalanine(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acidCHEMBL299889
Molecular Weight
222.24 g/mol
Molecular Formula
C11H14N2O3
Molecular Formula
C11H14N2O3
Num Rotatable Bonds
5