Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6134
- Core Entity Id
- 10001
- Source Entity Count
- 1
- Preferred Name
- 4-methoxy-1-methyl-2-quinolone
- Name En
- Pubchem Id
- 182073
- Smiles Canonical
- CN1C2=CC=CC=C2C(=CC1=O)OC
- Molecular Formula
- C11H11NO2
- Molecular Weight
- 189.2140
- Inchikey
- SPBLFONLHXBBQE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H11NO2/c1-12-9-6-4-3-5-8(9)10(14-2)7-11(12)13/h3-7H,1-2H3
- Isomeric Smiles
- CN1C2=CC=CC=C2C(=CC1=O)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.5471
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-methoxy-1-methyl-2-quinolone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-methoxy-1-methyl-2-quinolone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-methoxy-1-methyl-2-quinolone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2(1H)-Quinolinone, 4-methoxy-1-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
2(1H)-Quinolinone, 4-methoxy-1-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
32262-18-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
32262-18-3
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Methoxy-1-methylquinolin-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methoxy-N-methyl-2-quinolone
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methoxy-1-methyl-2(1H)-quinolinone
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methoxy-1-methyl-2(1H)-quinolinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-methoxy-1-methylquinolin-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methoxy-n-methyl-2-quinolone
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS000532185
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS000532185
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Methyl-4-methoxy-2-quinolone
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Methyl-4-methoxy-2-quinolone
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Methyl-4-methoxycarbostyril
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Methyl-4-methoxycarbostyril
Role
alias
Source
itcmdb_public
Preferred
No
Name
SMR000137126
Role
alias
Source
HERB_v2
Preferred
No
Name
SMR000137126
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2(1H)-Quinolinone, 4-methoxy-1-methyl-32262-18-34-Methoxy-1-methylquinolin-2-one4-Methoxy-N-methyl-2-quinolone4-methoxy-1-methyl-2(1H)-quinolinoneMLS000532185N-Methyl-4-methoxy-2-quinoloneN-Methyl-4-methoxycarbostyrilSMR000137126
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010600
Npass
NPC250476
Tcmid
14030
Pub Chem
182073
Tcmbank
TCMBANKIN050069
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H11NO2/c1-12-9-6-4-3-5-8(9)10(14-2)7-11(12)13/h3-7H,1-2H3
Mol Wt
189.214
Smiles
CN1C2=CC=CC=C2C(=CC1=O)OC
Mol Log P
1.5471
In Ch Ikey
SPBLFONLHXBBQE-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/14037.mol2
Reference
2176
Num Hdonors
0
Drug Likeness
0.681
Num Hacceptors
3
Isomeric Smiles
CN1C2=CC=CC=C2C(=CC1=O)OC
Canonical Smiles
CN1C2=CC=CC=C2C(=CC1=O)OC
Herb Alias Names
4-methoxy-1-methylquinolin-2-one32262-18-34-methoxy-1-methyl-2(1H)-quinolinoneN-Methyl-4-methoxycarbostyril2(1H)-Quinolinone, 4-methoxy-1-methyl-MLS000532185SMR0001371264-Methoxy-1-methylquinolin-2-one4-Methoxy-N-methyl-2-quinoloneN-Methyl-4-methoxy-2-quinolone4-methoxy-n-methyl-2-quinolone
Molecular Weight
189.21 g/mol
Molecular Formula
C11H11NO2
Molecular Formula
C11H11NO2
Num Rotatable Bonds
1