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: 3Ingredient: 1Target: 5Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5182
- Core Entity Id
- 8947
- Source Entity Count
- 1
- Preferred Name
- 3-pyridylcarbinol
- Name En
- Pubchem Id
- 7510
- Smiles Canonical
- C1=CC(=CN=C1)CO
- Molecular Formula
- C6H7NO
- Molecular Weight
- 109.1280
- Inchikey
- MVQVNTPHUGQQHK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2
- Isomeric Smiles
- C1=CC(=CN=C1)CO
- Cas Id
- Ob Score
- Mol Logp
- 0.5739
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Pyridylcarbinol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-pyridylcarbinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-pyridylcarbinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-pyridylcarbinol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-pyridylcarbinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
100-55-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
100-55-0
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(Hydroxymethyl)pyridine
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(Hydroxymethyl)pyridine
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-PYRIDINEMETHANOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-PYRIDINEMETHANOL
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Pyridylmethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Pyridylmethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
Nicotinic alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Nicotinic alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nicotinyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Nicotinyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyridylcarbinol
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyridylcarbinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Roniacol
Role
alias
Source
HERB_v2
Preferred
No
Name
Roniacol
Role
alias
Source
itcmdb_public
Preferred
No
Name
pyridin-3-yl-methanol
Role
alias
Source
TCMBank
Preferred
No
Name
pyridin-3-ylmethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
pyridin-3-ylmethanol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
100-55-03-(Hydroxymethyl)pyridine3-PYRIDINEMETHANOL3-PyridylmethanolNicotinic alcoholNicotinyl alcoholPyridylcarbinolRoniacolpyridin-3-yl-methanolpyridin-3-ylmethanol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009482HBIN041381
Npass
NPC165370
Tcmid
1824540168
Sym Map
SMIT21302
Pub Chem
7510
Tcmbank
TCMBANKIN058268
Etcm Ingredient
3-pyridylcarbinol
Itcmdb Generated
ITX-INGREDIENT-3D95AE137935ITX-INGREDIENT-53041A72B7E2
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2
Mol Wt
109.128
Smiles
C1=CC(=CN=C1)CO
Mol Log P
0.5738999999999999
Version
v2
In Ch Ikey
MVQVNTPHUGQQHK-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.572
Num Hacceptors
2
Isomeric Smiles
C1=CC(=CN=C1)CO
Canonical Smiles
C1=CC(=CN=C1)CO
Herb Alias Names
3-PYRIDINEMETHANOL100-55-0pyridin-3-ylmethanolNicotinyl alcohol3-(Hydroxymethyl)pyridineNicotinic alcohol3-PyridylmethanolRoniacolPyridylcarbinol
Molecular Weight
109.050
Molecular Weight
109.13 g/mol
Molecular Formula
C6H7NO
Molecular Formula
C6H7NO
Molecular Formula
C6H7NO
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.021
Quantitative Estimate Of Drug Likeness（Qed）
0.572