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: 1Target: 11Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 691
- Core Entity Id
- 3961
- Source Entity Count
- 1
- Preferred Name
- 2,4,6-trimethylanisole
- Name En
- Pubchem Id
- 77648
- Smiles Canonical
- CC1=CC(=C(C(=C1)C)OC)C
- Molecular Formula
- C10H14O
- Molecular Weight
- 150.2210
- Inchikey
- NNVKEOMPDSKFGZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H14O/c1-7-5-8(2)10(11-4)9(3)6-7/h5-6H,1-4H3
- Isomeric Smiles
- CC1=CC(=C(C(=C1)C)OC)C
- Cas Id
- 4028-66-4
- Ob Score
- 75.9609
- Mol Logp
- 2.6205
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,4,6-Trimethylanisole
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,4,6-Trimethylanisole
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,4,6-Trimethylanisole
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,4,6-Trimethylanisole
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,4,6-trimethylanisole
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,4,6-trimethylanisole
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-Methoxy-1,3,5-trimethylbenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methoxy-1,3,5-trimethylbenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-methoxy-1,3,5-trimethylbenzene
Role
alias
Source
TCMBank
Preferred
No
Name
246-TRIMETHYLANISOLE
Role
alias
Source
HERB_v2
Preferred
No
Name
246-TRIMETHYLANISOLE
Role
alias
Source
itcmdb_public
Preferred
No
Name
4028-66-4
Role
alias
Source
HERB_v2
Preferred
No
Name
4028-66-4
Role
alias
Source
TCMBank
Preferred
No
Name
4028-66-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anisole, 2,4,6-trimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Anisole, 2,4,6-trimethyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Anisole, 2,4,6-trimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzene, 2-methoxy-1,3,5-trimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzene, 2-methoxy-1,3,5-trimethyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzene, 2-methoxy-1,3,5-trimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20193266
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20193266
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD03092887
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD03092887
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methoxymesitylene
Role
alias
Source
HERB_v2
Preferred
No
Name
Methoxymesitylene
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL129762
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL129762
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC02598023
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Methoxy-1,3,5-trimethylbenzene246-TRIMETHYLANISOLE4028-66-4Anisole, 2,4,6-trimethyl-Benzene, 2-methoxy-1,3,5-trimethyl-DTXSID20193266MFCD03092887MethoxymesityleneSCHEMBL129762ZINC02598023
Cross References
Trusted external identifiers retained for this final record.
Cas
4028-66-4
Herb
HBIN004253
Npass
NPC47392
Tcmsp
MOL005412
Sym Map
SMIT07173
Pub Chem
77648
Tcmbank
TCMBANKIN033625
Etcm Ingredient
2,4,6-Trimethylanisole
Itcmdb Generated
ITX-INGREDIENT-43ABA0FC5794
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H14O/c1-7-5-8(2)10(11-4)9(3)6-7/h5-6H,1-4H3
Mol Wt
150.221
Cas Id
4028-66-4
Smiles
CC1=CC(=C(C(=C1)C)OC)C
Mol Log P
2.62046
Version
v1,v2
In Ch Ikey
NNVKEOMPDSKFGZ-UHFFFAOYSA-N
Ob Score
75.96088275.9608822175.961
Suppress
0
Num Hdonors
0
Drug Likeness
0.598
Num Hacceptors
1
Isomeric Smiles
CC1=CC(=C(C(=C1)C)OC)C
Molecule Weight
150.24
Canonical Smiles
CC1=CC(=C(C(=C1)C)OC)C
Herb Alias Names
4028-66-42-Methoxy-1,3,5-trimethylbenzeneBenzene, 2-methoxy-1,3,5-trimethyl-Anisole, 2,4,6-trimethyl-MethoxymesityleneMFCD03092887246-TRIMETHYLANISOLESCHEMBL129762DTXSID20193266
Molecular Weight
150.100
Molecular Weight
150.22
Molecular Formula
C10H14O
Molecular Formula
C10H14O
Molecular Formula
C10H14O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.062
Quantitative Estimate Of Drug Likeness（Qed）
0.598