Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31167
- Core Entity Id
- 37829
- Source Entity Count
- 1
- Preferred Name
- Py
- Name En
- Pubchem Id
- 1049
- Smiles Canonical
- C1=CC=NC=C1
- Molecular Formula
- C5H5N
- Molecular Weight
- 79.1020
- Inchikey
- JUJWROOIHBZHMG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
- Isomeric Smiles
- C1=CC=NC=C1
- Cas Id
- 152758-95-7
- Ob Score
- 42.3190
- Mol Logp
- 1.0816
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4530
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Py
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Py
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Py
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Py
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Pyridine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pyridine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Pyridine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
py
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
py
Role
preferred
Source
TCMBank
Preferred
Yes
Name
02486_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
110-86-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
110-86-1
Role
alias
Source
HERB_v2
Preferred
No
Name
110-86-1
Role
alias
Source
TCMBank
Preferred
No
Name
152758-95-7
Role
alias
Source
TCMBank
Preferred
No
Name
163392-20-9
Role
alias
Source
TCMBank
Preferred
No
Name
184527_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2-BROMO-3-(3,4,5-TRIMETHOXY-PHENYL)-PYRIDINE
Role
alias
Source
TCMBank
Preferred
No
Name
2-bromo-3-(3,4,5-trimethoxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
270407_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
270970_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
33638_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
34945_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
360570_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
45410-39-7
Role
alias
Source
TCMBank
Preferred
No
Name
494410_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
62301-32-0
Role
alias
Source
TCMBank
Preferred
No
Name
676772_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
6999-00-4
Role
alias
Source
TCMBank
Preferred
No
Name
82005-06-9
Role
alias
Source
TCMBank
Preferred
No
Name
82702_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
82704_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
847063-30-3
Role
alias
Source
TCMBank
Preferred
No
Name
85404-19-9
Role
alias
Source
TCMBank
Preferred
No
Name
85404-20-2
Role
alias
Source
TCMBank
Preferred
No
Name
AC-907/34116015
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-01240
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS015962566
Role
alias
Source
TCMBank
Preferred
No
Name
Azabenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Azabenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
Azabenzene
Role
alias
Source
TCMBank
Preferred
No
Name
Azine
Role
alias
Source
HERB_v2
Preferred
No
Name
Azine
Role
alias
Source
TCMBank
Preferred
No
Name
Azine
Role
alias
Source
itcmdb_public
Preferred
No
Name
C00747
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 2926
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:16227
Role
alias
Source
TCMBank
Preferred
No
Name
CP 32
Role
alias
Source
TCMBank
Preferred
No
Name
CTK6J6448
Role
alias
Source
TCMBank
Preferred
No
Name
Caswell No. 717
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 203-809-9
Role
alias
Source
TCMBank
Preferred
No
Name
EPA Pesticide Chemical Code 069202
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 2966
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA Number 2966
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 118
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C5H5N/c1-2-4-6-5-3-1/h1-5
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00091476-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCI-C55301
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_006101
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_002809
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_007786
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_007866
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_007986
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_007999
Role
alias
Source
TCMBank
Preferred
No
Name
NSC141574
Role
alias
Source
TCMBank
Preferred
No
Name
NSC406123
Role
alias
Source
TCMBank
Preferred
No
Name
P57506_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
PYRIDINE
Role
alias
Source
HERB_v2
Preferred
No
Name
PYRIDINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
PYRIDINE-RING
Role
alias
Source
TCMBank
Preferred
No
Name
Piridina
Role
alias
Source
itcmdb_public
Preferred
No
Name
Piridina
Role
alias
Source
HERB_v2
Preferred
No
Name
Piridina
Role
alias
Source
TCMBank
Preferred
No
Name
Piridina [Italian]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Piridina [Italian]
Role
alias
Source
HERB_v2
Preferred
No
Name
Piridina [Italian]
Role
alias
Source
TCMBank
Preferred
No
Name
Pirydyna
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pirydyna
Role
alias
Source
TCMBank
Preferred
No
Name
Pirydyna
Role
alias
Source
HERB_v2
Preferred
No
Name
Pirydyna [Polish]
Role
alias
Source
HERB_v2
Preferred
No
Name
Pirydyna [Polish]
Role
alias
Source
TCMBank
Preferred
No
Name
Pirydyna [Polish]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyridin
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyridin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyridin
Role
alias
Source
TCMBank
Preferred
No
Name
Pyridin [German]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyridin [German]
Role
alias
Source
TCMBank
Preferred
No
Name
Pyridin [German]
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyridine
Role
alias
Source
TCMBank
Preferred
No
Name
Pyridine [UN1282] [Flammable liquid]
Role
alias
Source
TCMBank
Preferred
No
Name
RCRA waste no. U196
Role
alias
Source
TCMBank
Preferred
No
Name
RCRA waste number U196
Role
alias
Source
TCMBank
Preferred
No
Name
ST5214494
Role
alias
Source
TCMBank
Preferred
No
Name
UN1282
Role
alias
Source
TCMBank
Preferred
No
Name
W296600_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: T6NJ
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00895354
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Pyridine02486_FLUKA110-86-1152758-95-7163392-20-9184527_ALDRICH2-BROMO-3-(3,4,5-TRIMETHOXY-PHENYL)-PYRIDINE2-bromo-3-(3,4,5-trimethoxyphenyl)-270407_ALDRICH270970_ALDRICH33638_RIEDEL34945_RIEDEL360570_SIAL45410-39-7494410_ALDRICH62301-32-0676772_SIAL6999-00-482005-06-982702_FLUKA82704_FLUKA847063-30-385404-19-985404-20-2AC-907/34116015AI3-01240AKOS015962566AzabenzeneAzineC00747CCRIS 2926CHEBI:16227CP 32CTK6J6448Caswell No. 717EINECS 203-809-9EPA Pesticide Chemical Code 069202FEMA No. 2966FEMA Number 2966HSDB 118InChI=1/C5H5N/c1-2-4-6-5-3-1/h1-5NCGC00091476-01NCI-C55301NCI60_006101NCIOpen2_002809NCIOpen2_007786NCIOpen2_007866NCIOpen2_007986NCIOpen2_007999NSC141574NSC406123P57506_SIALPYRIDINE-RINGPiridinaPiridina [Italian]PirydynaPirydyna [Polish]PyridinPyridin [German]Pyridine [UN1282] [Flammable liquid]RCRA waste no. U196RCRA waste number U196ST5214494UN1282W296600_ALDRICHWLN: T6NJZINC00895354
Cross References
Trusted external identifiers retained for this final record.
Cas
110-86-1152758-95-7
Hit
C0344
Herb
HBIN041335HBIN041382
Npass
NPC260995NPC83987
Tcmid
23886
Tcmsp
MOL011602
Sym Map
SMIT01929SMIT12478
Tcm Id
1451
Pub Chem
1049
Tcmbank
TCMBANKIN058413
Etcm Ingredient
py
Itcmdb Generated
ITX-INGREDIENT-A82D5A7213D7ITX-INGREDIENT-AC994D851171
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
Mol Wt
79.10199999999998
Cas Id
152758-95-7
Smiles
C1=CC=NC=C1
Mol Log P
1.0816
Version
v1,v2
In Ch Ikey
JUJWROOIHBZHMG-UHFFFAOYSA-N
Ob Score
42.31942.3194485642.319449
Suppress
0
Num Hdonors
0
Drug Likeness
0.453
Num Hacceptors
1
Isomeric Smiles
C1=CC=NC=C1
Molecule Weight
79.101579.11
Canonical Smiles
C1=CC=NC=C1
Herb Alias Names
PYRIDINEAzabenzene110-86-1AzinePyridinPiridinaPirydynaPyridin [German]Pirydyna [Polish]Piridina [Italian]
Molecular Weight
79.040
Molecular Weight
79.1
Molecule Formula
c5h5n
Molecular Formula
C5H5N
Molecular Formula
C5H5N
Molecular Formula
C5H5N
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.020
Quantitative Estimate Of Drug Likeness（Qed）
0.453