Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 9Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2248
- Core Entity Id
- 5687
- Source Entity Count
- 1
- Preferred Name
- 2-methylquinolin-6-ol
- Name En
- Pubchem Id
- 594395
- Smiles Canonical
- CC1=NC2=C(C=C1)C=C(C=C2)O
- Molecular Formula
- C10H9NO
- Molecular Weight
- 159.1880
- Inchikey
- USSQQASIZNTRAJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H9NO/c1-7-2-3-8-6-9(12)4-5-10(8)11-7/h2-6,12H,1H3
- Isomeric Smiles
- CC1=NC2=C(C=C1)C=C(C=C2)O
- Cas Id
- 613-21-8
- Ob Score
- 45.0170
- Mol Logp
- 2.2488
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6390
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Methylquinolin-6-Ol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Methylquinolin-6-Ol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-methylquinolin-6-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-methylquinolin-6-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-methylquinolin-6-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-methylquinolin-6-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-Methyl-6-hydroxyquinoline
Role
alias
Source
TCMBank
Preferred
No
Name
2-Methyl-6-hydroxyquinoline
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methyl-6-hydroxyquinoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methyl-6-quinolinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methyl-6-quinolinol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methyl-6-quinolinol
Role
alias
Source
TCMBank
Preferred
No
Name
2-methyl-quinolin-6-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-methyl-quinolin-6-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
6-HYDROXY-2-METHYLQUINOLINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-HYDROXY-2-METHYLQUINOLINE
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Hydroxy-2-methyl quionoline
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Hydroxy-2-methyl quionoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Quinolinol, 2-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Quinolinol, 2-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
6-Quinolinol, 2-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-hydroxyquinaldine
Role
alias
Source
HERB_v2
Preferred
No
Name
6-hydroxyquinaldine
Role
alias
Source
itcmdb_public
Preferred
No
Name
613-21-8
Role
alias
Source
HERB_v2
Preferred
No
Name
613-21-8
Role
alias
Source
TCMBank
Preferred
No
Name
613-21-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00047600
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00047600
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oprea1_412249
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00158027
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Methyl-6-hydroxyquinoline2-Methyl-6-quinolinol2-methyl-quinolin-6-ol6-HYDROXY-2-METHYLQUINOLINE6-Hydroxy-2-methyl quionoline6-Quinolinol, 2-methyl-6-hydroxyquinaldine613-21-8MFCD00047600Oprea1_412249ZINC00158027
Cross References
Trusted external identifiers retained for this final record.
Cas
613-21-8
Herb
HBIN006095
Tcmsp
MOL002954
Sym Map
SMIT05103
Pub Chem
594395
Tcmbank
TCMBANKIN017356
Etcm Ingredient
2-methylquinolin-6-ol
Itcmdb Generated
ITX-INGREDIENT-D2AF4616F9E8
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H9NO/c1-7-2-3-8-6-9(12)4-5-10(8)11-7/h2-6,12H,1H3
Mol Wt
159.188
Cas Id
613-21-8
Smiles
CC1=NC2=C(C=C1)C=C(C=C2)O
Mol Log P
2.248820000000001
Version
v1,v2
In Ch Ikey
USSQQASIZNTRAJ-UHFFFAOYSA-N
Ob Score
45.01745.0173576545.017358
Suppress
0
Num Hdonors
1
Drug Likeness
0.639
Num Hacceptors
2
Isomeric Smiles
CC1=NC2=C(C=C1)C=C(C=C2)O
Molecule Weight
159.2
Canonical Smiles
CC1=NC2=C(C=C1)C=C(C=C2)O
Herb Alias Names
613-21-86-HYDROXY-2-METHYLQUINOLINE6-hydroxyquinaldine6-Quinolinol, 2-methyl-MFCD000476002-Methyl-6-hydroxyquinoline2-Methyl-6-quinolinol2-methyl-quinolin-6-ol6-Hydroxy-2-methyl quionoline
Molecular Weight
159.070
Molecular Weight
159.18
Molecular Formula
C10H9NO
Molecular Formula
C10H9NO
Molecular Formula
C10H9NO
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.416
Quantitative Estimate Of Drug Likeness（Qed）
0.639