Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8905
- Core Entity Id
- 13065
- Source Entity Count
- 1
- Preferred Name
- 8-methoxy-2-methylquinoline
- Name En
- Pubchem Id
- 316986
- Smiles Canonical
- CC1=NC2=C(C=CC=C2OC)C=C1
- Molecular Formula
- C11H11NO
- Molecular Weight
- 173.2150
- Inchikey
- OQXVXPBDSJQYRR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H11NO/c1-8-6-7-9-4-3-5-10(13-2)11(9)12-8/h3-7H,1-2H3
- Isomeric Smiles
- CC1=NC2=C(C=CC=C2OC)C=C1
- Cas Id
- Ob Score
- Mol Logp
- 2.5518
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6610
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-Methoxy-2-methylquinoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8-methoxy-2-methylquinoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8-methoxy-2-methylquinoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3033-80-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
3033-80-5
Role
alias
Source
HERB_v2
Preferred
No
Name
8-Methoxyquinaldine
Role
alias
Source
HERB_v2
Preferred
No
Name
8-Methoxyquinaldine
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-methoxy-2-methyl-quinoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-methoxy-2-methyl-quinoline
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2321989
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2321989
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90311854
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90311854
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00034436
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00034436
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC246071
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC246071
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quinoline, 8-methoxy-2-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quinoline, 8-methoxy-2-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL873587
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL873587
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3033-80-58-Methoxyquinaldine8-methoxy-2-methyl-quinolineCHEMBL2321989DTXSID90311854MFCD00034436NSC246071Quinoline, 8-methoxy-2-methyl-SCHEMBL873587
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013802
Npass
NPC118511
Tcmid
37320
Pub Chem
316986
Tcmbank
TCMBANKIN032759
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H11NO/c1-8-6-7-9-4-3-5-10(13-2)11(9)12-8/h3-7H,1-2H3
Mol Wt
173.215
Smiles
CC1=NC2=C(C=CC=C2OC)C=C1
Mol Log P
2.55182
In Ch Ikey
OQXVXPBDSJQYRR-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.661
Num Hacceptors
2
Isomeric Smiles
CC1=NC2=C(C=CC=C2OC)C=C1
Canonical Smiles
CC1=NC2=C(C=CC=C2OC)C=C1
Herb Alias Names
3033-80-5Quinoline, 8-methoxy-2-methyl-MFCD00034436DTXSID903118548-MethoxyquinaldineNSC2460718-methoxy-2-methyl-quinolineSCHEMBL873587CHEMBL2321989
Molecular Weight
173.21 g/mol
Molecular Formula
C11H11NO
Molecular Formula
C11H11NO
Num Rotatable Bonds
1