Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2118
- Core Entity Id
- 5544
- Source Entity Count
- 1
- Preferred Name
- 2-methoxy-pyridine
- Name En
- Pubchem Id
- 74201
- Smiles Canonical
- COC1=CC=CC=N1
- Molecular Formula
- C6H7NO
- Molecular Weight
- 109.1280
- Inchikey
- IWTFOFMTUOBLHG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H7NO/c1-8-6-4-2-3-5-7-6/h2-5H,1H3
- Isomeric Smiles
- COC1=CC=CC=N1
- Cas Id
- Ob Score
- Mol Logp
- 1.0902
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Methoxy-Pyridine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Methoxy-Pyridine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-methoxy-Pyridine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-methoxy-pyridine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-methoxy-pyridine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1628-89-3
Role
alias
Source
HERB_v2
Preferred
No
Name
1628-89-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-METHOXYPYRIDINE
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methoxy pyridine
Role
alias
Source
itcmdb_public
Preferred
No
Name
93337-21-4
Role
alias
Source
HERB_v2
Preferred
No
Name
93337-21-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
GEB38J8108
Role
alias
Source
HERB_v2
Preferred
No
Name
GEB38J8108
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00006262
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00006262
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyridine, 2-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyridine, 2-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyridine, methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyridine, methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
methoxypyridine
Role
alias
Source
HERB_v2
Preferred
No
Name
methoxypyridine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1628-89-32-METHOXYPYRIDINE2-Methoxy pyridine93337-21-4GEB38J8108MFCD00006262Pyridine, 2-methoxy-Pyridine, methoxy-methoxypyridine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005926
Npass
NPC79472
Tcmid
36734
Sym Map
SMIT20663
Pub Chem
74201
Tcmbank
TCMBANKIN006722
Itcmdb Generated
ITX-INGREDIENT-3905960E625D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H7NO/c1-8-6-4-2-3-5-7-6/h2-5H,1H3
Mol Wt
109.128
Smiles
COC1=CC=CC=N1
Mol Log P
1.0902
Version
v2
In Ch Ikey
IWTFOFMTUOBLHG-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.538
Num Hacceptors
2
Isomeric Smiles
COC1=CC=CC=N1
Canonical Smiles
COC1=CC=CC=N1
Herb Alias Names
2-METHOXYPYRIDINE1628-89-3Pyridine, 2-methoxy-Pyridine, methoxy-MFCD000062622-Methoxy pyridineGEB38J810893337-21-4methoxypyridine
Molecular Weight
109.13 g/mol
Molecular Formula
C6H7NO
Molecular Formula
C6H7NO
Num Rotatable Bonds
1