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: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5175
- Core Entity Id
- 8940
- Source Entity Count
- 1
- Preferred Name
- 3-phenylpyridine
- Name En
- Pubchem Id
- 13886
- Smiles Canonical
- C1=CC=C(C=C1)C2=CN=CC=C2
- Molecular Formula
- C11H9N
- Molecular Weight
- 155.2000
- Inchikey
- HJKGBRPNSJADMB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H
- Isomeric Smiles
- C1=CC=C(C=C1)C2=CN=CC=C2
- Cas Id
- 1008-88-4
- Ob Score
- 26.5485
- Mol Logp
- 2.7486
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6170
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Phenylpyridine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-PHENYLPYRIDINE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-PHENYLPYRIDINE
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-Phenylpyridine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-phenylpyridine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-phenylpyridine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1008-88-4
Role
alias
Source
TCMBank
Preferred
No
Name
1008-88-4
Role
alias
Source
HERB_v2
Preferred
No
Name
1008-88-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
209732_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
3-PhenyIpyridine
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-PhenyIpyridine
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Phenyl-pyridine
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Phenyl-pyridine
Role
alias
Source
HERB_v2
Preferred
No
Name
5-phenylpyridine
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-phenylpyridine
Role
alias
Source
HERB_v2
Preferred
No
Name
EDZ6KB7JVC
Role
alias
Source
HERB_v2
Preferred
No
Name
EDZ6KB7JVC
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 213-762-6
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00006380
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00006380
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyridine, 3-phenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyridine, 3-phenyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Pyridine, 3-phenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-EDZ6KB7JVC
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-EDZ6KB7JVC
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC02040069
Role
alias
Source
TCMBank
Preferred
No
Name
m-Phenylpyridine
Role
alias
Source
HERB_v2
Preferred
No
Name
m-Phenylpyridine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1008-88-4209732_ALDRICH3-PhenyIpyridine3-Phenyl-pyridine5-phenylpyridineEDZ6KB7JVCEINECS 213-762-6InChI=1/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9MFCD00006380Pyridine, 3-phenyl-UNII-EDZ6KB7JVCZINC02040069m-Phenylpyridine
Cross References
Trusted external identifiers retained for this final record.
Cas
1008-88-4
Herb
HBIN009473
Tcmsp
MOL010095
Sym Map
SMIT11166
Pub Chem
13886
Tcmbank
TCMBANKIN036530
Etcm Ingredient
3-PHENYLPYRIDINE
Itcmdb Generated
ITX-INGREDIENT-881BD7C5FC13
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H
Mol Wt
155.2
Cas Id
1008-88-4
Smiles
C1=CC=C(C=C1)C2=CN=CC=C2
Mol Log P
2.748600000000001
Version
v1,v2
In Ch Ikey
HJKGBRPNSJADMB-UHFFFAOYSA-N
Ob Score
26.5485007126.54850126.549
Suppress
0
Num Hdonors
0
Drug Likeness
0.617
Num Hacceptors
1
Isomeric Smiles
C1=CC=C(C=C1)C2=CN=CC=C2
Molecule Weight
155.21
Canonical Smiles
C1=CC=C(C=C1)C2=CN=CC=C2
Herb Alias Names
1008-88-4Pyridine, 3-phenyl-3-Phenyl-pyridinem-Phenylpyridine3-PhenyIpyridineEDZ6KB7JVCUNII-EDZ6KB7JVC5-phenylpyridineMFCD00006380
Molecular Weight
155.070
Molecular Weight
155.2
Molecular Formula
C11H9N
Molecular Formula
C11H9N
Molecular Formula
C11H9N
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.105
Quantitative Estimate Of Drug Likeness（Qed）
0.617