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: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5877
- Core Entity Id
- 9718
- Source Entity Count
- 1
- Preferred Name
- 4-carbomethoxy-6-hydroxy-2-quinolone
- Name En
- Pubchem Id
- 10331015
- Smiles Canonical
- COC(=O)C1=CC(=O)NC2=C1C=C(C=C2)O
- Molecular Formula
- C11H9NO4
- Molecular Weight
- 219.1960
- Inchikey
- VMFVSNYOKIVXJO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H9NO4/c1-16-11(15)8-5-10(14)12-9-3-2-6(13)4-7(8)9/h2-5,13H,1H3,(H,12,14)
- Isomeric Smiles
- COC(=O)C1=CC(=O)NC2=C1C=C(C=C2)O
- Cas Id
- Ob Score
- Mol Logp
- 1.0203
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Carbomethoxy-6-hydroxy-2-quinolone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-carbomethoxy-6-hydroxy-2-quinolone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-carbomethoxy-6-hydroxy-2-quinolone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-carbomethoxy-6-hydroxy-2-quinolone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
66416-75-9
Role
alias
Source
HERB_v2
Preferred
No
Name
66416-75-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:195958
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:195958
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL484460
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL484460
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20438225
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20438225
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl 2,6-dihydroxy-4-quinolinecarboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl 2,6-dihydroxy-4-quinolinecarboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl 6-hydroxy-2-oxo-1,2-dihydroquinoline-4-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl 6-hydroxy-2-oxo-1,2-dihydroquinoline-4-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl 6-hydroxy-2-oxo-1H-quinoline-4-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl 6-hydroxy-2-oxo-1H-quinoline-4-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
66416-75-9CHEBI:195958CHEMBL484460DTXSID20438225Methyl 2,6-dihydroxy-4-quinolinecarboxylateMethyl 6-hydroxy-2-oxo-1,2-dihydroquinoline-4-carboxylateMethyl 6-hydroxy-2-oxo-1H-quinoline-4-carboxylate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010288
Npass
NPC280714
Tcmid
3162
Pub Chem
10331015
Tcmbank
TCMBANKIN045908
Etcm Ingredient
4-Carbomethoxy-6-hydroxy-2-quinolone
Itcmdb Generated
ITX-INGREDIENT-2381D6CC51D8
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H9NO4/c1-16-11(15)8-5-10(14)12-9-3-2-6(13)4-7(8)9/h2-5,13H,1H3,(H,12,14)
Mol Wt
219.196
Smiles
COC(=O)C1=CC(=O)NC2=C1C=C(C=C2)O
Mol Log P
1.0203
In Ch Ikey
VMFVSNYOKIVXJO-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/03162.mol2
Reference
3098
Num Hdonors
2
Drug Likeness
0.702
Num Hacceptors
4
Isomeric Smiles
COC(=O)C1=CC(=O)NC2=C1C=C(C=C2)O
Canonical Smiles
COC(=O)C1=CC(=O)NC2=C1C=C(C=C2)O
Herb Alias Names
66416-75-9Methyl 6-hydroxy-2-oxo-1H-quinoline-4-carboxylateMethyl 2,6-dihydroxy-4-quinolinecarboxylateMethyl 6-hydroxy-2-oxo-1,2-dihydroquinoline-4-carboxylateCHEMBL484460DTXSID20438225CHEBI:195958
Molecular Weight
219.050
Molecular Weight
219.19 g/mol
Molecular Formula
C11H9NO4
Molecular Formula
C11H9NO4
Molecular Formula
C11H9NO4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.452
Quantitative Estimate Of Drug Likeness（Qed）
0.702