Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 7Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5741
- Core Entity Id
- 9570
- Source Entity Count
- 1
- Preferred Name
- 4,8-dihydroxy-2-quinolinecarboxylic acid
- Name En
- Pubchem Id
- 5699
- Smiles Canonical
- C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O
- Molecular Formula
- C10H7NO4
- Molecular Weight
- 205.1690
- Inchikey
- FBZONXHGGPHHIY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
- Isomeric Smiles
- C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O
- Cas Id
- 59-00-7
- Ob Score
- Mol Logp
- 0.9319
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4,8-dihydroxy-2-quinolinecarboxylic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4,8-dihydroxy-2-quinolinecarboxylic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4,8-dihydroxy-2-quinolinecarboxylic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-Quinolinecarboxylic acid, 4,8-dihydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Quinolinecarboxylic acid, 4,8-dihydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
4,8-Dihydroxyquinaldic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,8-Dihydroxyquinaldic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4,8-Dihydroxyquinaldinic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,8-Dihydroxyquinaldinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4,8-Dihydroxyquinoline-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,8-Dihydroxyquinoline-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
59-00-7
Role
alias
Source
HERB_v2
Preferred
No
Name
59-00-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-Hydroxykynurenic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
8-Hydroxykynurenic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
8-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Xanthurenate
Role
alias
Source
HERB_v2
Preferred
No
Name
Xanthurenate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Xanthuric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Xanthuric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
xanthurenic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
xanthurenic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Quinolinecarboxylic acid, 4,8-dihydroxy-4,8-Dihydroxyquinaldic acid4,8-Dihydroxyquinaldinic acid4,8-Dihydroxyquinoline-2-carboxylic acid59-00-78-Hydroxykynurenic acid8-hydroxy-4-oxo-1H-quinoline-2-carboxylic acidXanthurenateXanthuric acidxanthurenic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
59-00-7
Herb
HBIN010136
Npass
NPC144381
Tcm Id
7879
Pub Chem
5699
Tcmbank
TCMBANKIN016310
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
Mol Wt
205.169
Cas Id
59-00-7
Smiles
C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O
Mol Log P
0.9318999999999995
In Ch Ikey
FBZONXHGGPHHIY-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.646
Num Hacceptors
3
Isomeric Smiles
C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O
Canonical Smiles
C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O
Herb Alias Names
xanthurenic acid59-00-74,8-Dihydroxyquinoline-2-carboxylic acidXanthuric acid8-Hydroxykynurenic acidXanthurenate4,8-Dihydroxyquinaldic acid4,8-Dihydroxyquinaldinic acid8-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid2-Quinolinecarboxylic acid, 4,8-dihydroxy-
Molecular Weight
205.17
Molecular Formula
C10H7NO4
Molecular Formula
C10H7NO4
Num Rotatable Bonds
1