Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 14Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24482
- Core Entity Id
- 30401
- Source Entity Count
- 1
- Preferred Name
- Leukol
- Name En
- Pubchem Id
- 7047
- Smiles Canonical
- C1=CC=C2C(=C1)C=CC=N2
- Molecular Formula
- C9H7N
- Molecular Weight
- 129.1620
- Inchikey
- SMWDFEZZVXVKRB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
- Isomeric Smiles
- C1=CC=C2C(=C1)C=CC=N2
- Cas Id
- 91-22-5
- Ob Score
- 35.2549
- Mol Logp
- 2.2348
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5310
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Leukol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Leukol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Leukol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Leukol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Leukol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Leukol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-Azanaphthalene
Role
alias
Source
TCMBank
Preferred
No
Name
1-Azanaphthalene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Azanaphthalene
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Benzazine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Benzazine
Role
alias
Source
TCMBank
Preferred
No
Name
1-Benzazine
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Benzine
Role
alias
Source
TCMBank
Preferred
No
Name
15305_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
2,3-Benzopyridine
Role
alias
Source
TCMBank
Preferred
No
Name
20214-07-7
Role
alias
Source
TCMBank
Preferred
No
Name
241571_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
91-22-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
91-22-5
Role
alias
Source
HERB_v2
Preferred
No
Name
91-22-5
Role
alias
Source
TCMBank
Preferred
No
Name
AE-641/01960007
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-01241
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS020530
Role
alias
Source
TCMBank
Preferred
No
Name
B 500
Role
alias
Source
TCMBank
Preferred
No
Name
Benzo(b)pyridine
Role
alias
Source
TCMBank
Preferred
No
Name
Benzopyridine
Role
alias
Source
TCMBank
Preferred
No
Name
Benzopyridine (VAN)
Role
alias
Source
TCMBank
Preferred
No
Name
C06413
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 547
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:17362
Role
alias
Source
TCMBank
Preferred
No
Name
Chinoleine
Role
alias
Source
TCMBank
Preferred
No
Name
Chinoleine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chinoleine
Role
alias
Source
HERB_v2
Preferred
No
Name
Chinolin
Role
alias
Source
TCMBank
Preferred
No
Name
Chinolin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chinolin
Role
alias
Source
HERB_v2
Preferred
No
Name
Chinolin [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
Chinoline
Role
alias
Source
HERB_v2
Preferred
No
Name
Chinoline
Role
alias
Source
TCMBank
Preferred
No
Name
Chinoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 202-051-6
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 3470
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 121
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7
Role
alias
Source
TCMBank
Preferred
No
Name
Leucol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Leucol
Role
alias
Source
TCMBank
Preferred
No
Name
Leucol
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00091190-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_007906
Role
alias
Source
TCMBank
Preferred
No
Name
NSC3396
Role
alias
Source
TCMBank
Preferred
No
Name
Q1255_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
QUINOLINE
Role
alias
Source
HERB_v2
Preferred
No
Name
QUINOLINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quinolin
Role
alias
Source
HERB_v2
Preferred
No
Name
Quinolin
Role
alias
Source
TCMBank
Preferred
No
Name
Quinolin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quinoline
Role
alias
Source
TCMBank
Preferred
No
Name
Quinoline (8CI,9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Quinoline [UN2656] [Poison]
Role
alias
Source
TCMBank
Preferred
No
Name
UN2656
Role
alias
Source
TCMBank
Preferred
No
Name
Usaf ek-218
Role
alias
Source
TCMBank
Preferred
No
Name
W347000_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: T66 BNJ
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC01706876
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Azanaphthalene1-Benzazine1-Benzine15305_RIEDEL2,3-Benzopyridine20214-07-7241571_ALDRICH91-22-5AE-641/01960007AI3-01241AIDS020530B 500Benzo(b)pyridineBenzopyridineBenzopyridine (VAN)C06413CCRIS 547CHEBI:17362ChinoleineChinolinChinolin [Czech]ChinolineEINECS 202-051-6FEMA No. 3470HSDB 121InChI=1/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7LeucolNCGC00091190-01NCIOpen2_007906NSC3396Q1255_ALDRICHQUINOLINEQuinolinQuinoline (8CI,9CI)Quinoline [UN2656] [Poison]UN2656Usaf ek-218W347000_ALDRICHWLN: T66 BNJZINC01706876
Cross References
Trusted external identifiers retained for this final record.
Cas
91-22-5
Hit
C0358
Herb
HBIN033025HBIN041759
Npass
NPC46358
Tcmid
33535
Tcmsp
MOL003064
Sym Map
SMIT05200
Pub Chem
7047
Tcmbank
TCMBANKIN058396
Etcm Ingredient
Leukol
Itcmdb Generated
ITX-INGREDIENT-FBF34A3B96D3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
Mol Wt
129.1619999999999
Cas Id
91-22-5
Smiles
C1=CC=C2C(=C1)C=CC=N2
Mol Log P
2.2348
Version
v1,v2
In Ch Ikey
SMWDFEZZVXVKRB-UHFFFAOYSA-N
Ob Score
35.2549416335.25494235.255
Suppress
0
Num Hdonors
0
Drug Likeness
0.531
Num Hacceptors
1
Isomeric Smiles
C1=CC=C2C(=C1)C=CC=N2
Molecule Weight
129.17
Canonical Smiles
C1=CC=C2C(=C1)C=CC=N2
Herb Alias Names
QUINOLINE91-22-51-Benzazine1-AzanaphthaleneChinolinChinoleineChinolineQuinolinLeucol
Molecular Weight
129.060
Molecular Weight
129.16 g/mol
Molecular Formula
C9H7N
Molecular Formula
C9H7N
Molecular Formula
C9H7N
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.048
Quantitative Estimate Of Drug Likeness（Qed）
0.531