Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24033
- Core Entity Id
- 29899
- Source Entity Count
- 1
- Preferred Name
- Kyna
- Name En
- Pubchem Id
- 3845
- Smiles Canonical
- C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O
- Molecular Formula
- C10H7NO3
- Molecular Weight
- 189.1700
- Inchikey
- HCZHHEIFKROPDY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
- Isomeric Smiles
- C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O
- Cas Id
- 13593-94-7
- Ob Score
- 44.7157
- Mol Logp
- 1.2263
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Kyna
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Kyna
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Kyna
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,4-Dihydro-4-oxoquinoline-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4-Dihydro-4-oxoquinoline-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
13593-94-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
13593-94-7
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxyquinaldic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxyquinaldic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxyquinoline-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxyquinoline-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4-oxo-1,4-dihydroquinoline-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4-oxo-1,4-dihydroquinoline-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
492-27-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
492-27-3
Role
alias
Source
HERB_v2
Preferred
No
Name
Kynurenate
Role
alias
Source
HERB_v2
Preferred
No
Name
Kynurenate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quinurenic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Quinurenic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Transtorine
Role
alias
Source
HERB_v2
Preferred
No
Name
Transtorine
Role
alias
Source
itcmdb_public
Preferred
No
Name
kynurenic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
kynurenic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-hydroxy-2-quinolinecarboxylic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
KYNA
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,4-Dihydro-4-oxoquinoline-2-carboxylic acid13593-94-74-Hydroxyquinaldic acid4-Hydroxyquinoline-2-carboxylic acid4-oxo-1,4-dihydroquinoline-2-carboxylic acid492-27-3KynurenateQuinurenic acidTranstorinekynurenic acid4-hydroxy-2-quinolinecarboxylic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
13593-94-7492-27-3
Herb
HBIN032451HBIN010459
Npass
NPC194562
Tcmid
38168
Tcmsp
MOL010768
Sym Map
SMIT11764
Tcm Id
231057834
Pub Chem
3845
Tcmbank
TCMBANKIN058381
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
Mol Wt
189.17
Cas Id
13593-94-7492-27-3
Smiles
C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O
Mol Log P
1.2263
Version
v1,v2
In Ch Ikey
HCZHHEIFKROPDY-UHFFFAOYSA-N
Ob Score
44.7156965244.716
Suppress
0
Num Hdonors
2
Drug Likeness
0.708
Num Hacceptors
2
Isomeric Smiles
C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O
Molecule Weight
189.18
Canonical Smiles
C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O
Herb Alias Names
kynurenic acid4-Hydroxyquinoline-2-carboxylic acid492-27-313593-94-74-oxo-1,4-dihydroquinoline-2-carboxylic acidKynurenateTranstorineQuinurenic acid1,4-Dihydro-4-oxoquinoline-2-carboxylic acid4-Hydroxyquinaldic acid
Molecular Weight
189.17 g/mol
Molecular Formula
C10H7NO3
Molecular Formula
C10H7NO3
Num Rotatable Bonds
1