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
- 7737
- Core Entity Id
- 11780
- Source Entity Count
- 1
- Preferred Name
- 6-methoxy-4-methylquinoline
- Name En
- Pubchem Id
- 258761
- Smiles Canonical
- CC1=C2C=C(C=CC2=NC=C1)OC
- Molecular Formula
- C11H11NO
- Molecular Weight
- 173.2150
- Inchikey
- MBVGYFIYXWVPQY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H11NO/c1-8-5-6-12-11-4-3-9(13-2)7-10(8)11/h3-7H,1-2H3
- Isomeric Smiles
- CC1=C2C=C(C=CC2=NC=C1)OC
- 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
6-Methoxy-4-methylquinoline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-Methoxy-4-methylquinoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-methoxy-4-methylquinoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-methoxy-4-methylquinoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
大叶糖胶树
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DA YE TANG JIAO SHU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Deviltree Alstonia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
4-methyl-6-methoxyquinoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-methyl-6-methoxyquinoline
Role
alias
Source
HERB_v2
Preferred
No
Name
41037-26-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
41037-26-7
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Methoxy-4-methylpuinoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Methoxy-4-methylpuinoline
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Methoxylepidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Methoxylepidine
Role
alias
Source
HERB_v2
Preferred
No
Name
6-methoxy-4-methyl-quinoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-methoxy-4-methyl-quinoline
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00191547
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00191547
Role
alias
Source
HERB_v2
Preferred
No
Name
Methoxymethylquinoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methoxymethylquinoline
Role
alias
Source
HERB_v2
Preferred
No
Name
Quinoline, 6-methoxy-4-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Quinoline, 6-methoxy-4-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
大叶糖胶树DA YE TANG JIAO SHUDeviltree Alstonia4-methyl-6-methoxyquinoline41037-26-76-Methoxy-4-methylpuinoline6-Methoxylepidine6-methoxy-4-methyl-quinolineMFCD00191547MethoxymethylquinolineQuinoline, 6-methoxy-4-methyl-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012507
Npass
NPC212246
Tcmid
14029
Pub Chem
258761
Tcmbank
TCMBANKIN042081
Etcm Ingredient
6-Methoxy-4-methylquinoline
Itcmdb Generated
ITX-INGREDIENT-DDA6DE5B1EBB
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H11NO/c1-8-5-6-12-11-4-3-9(13-2)7-10(8)11/h3-7H,1-2H3
Mol Wt
173.215
Mol Log P
2.55182
In Ch Ikey
MBVGYFIYXWVPQY-UHFFFAOYSA-N
Tcm Name
大叶糖胶树
Tcm Name2
DA YE TANG JIAO SHU
Mol2 Path
/TCM_database/2007_3d_all/14036.mol2
Reference
3020
Num Hdonors
0
Tcm Name En
Deviltree Alstonia
Drug Likeness
0.661
Num Hacceptors
2
Isomeric Smiles
CC1=C2C=C(C=CC2=NC=C1)OC
Canonical Smiles
CC1=C2C=C(C=CC2=NC=C1)OC
Herb Alias Names
41037-26-74-methyl-6-methoxyquinoline6-Methoxylepidine6-methoxy-4-methyl-quinolineQuinoline, 6-methoxy-4-methyl-MethoxymethylquinolineMFCD001915476-Methoxy-4-methylpuinoline6-Methoxy-4-methylquinoline #
Molecular Weight
173.080
Molecular Weight
173.21 g/mol
Molecular Formula
C11H11NO
Molecular Formula
C11H11NO
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.139
Quantitative Estimate Of Drug Likeness（Qed）
0.661