Relationship Network
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1255
- Core Entity Id
- 4589
- Source Entity Count
- 1
- Preferred Name
- 2,6-dimethoxy-p-cresol
- Name En
- Pubchem Id
- 240925
- Smiles Canonical
- CC1=CC(=C(C(=C1)OC)O)OC
- Molecular Formula
- C9H12O3
- Molecular Weight
- 168.1920
- Inchikey
- ZFBNNSOJNZBLLS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3
- Isomeric Smiles
- CC1=CC(=C(C(=C1)OC)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.7178
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7300
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,6-Dimethoxy-P-Cresol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,6-dimethoxy-p-cresol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,6-dimethoxy-p-cresol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,6-dimethoxy-p-cresol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,6-Dimethoxy-4-methylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-Dimethoxy-4-methylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5-Dimethoxy-4-hydroxytoluene
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-Dimethoxy-4-hydroxytoluene
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxy-3,5-dimethoxytoluene
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxy-3,5-dimethoxytoluene
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methyl-2,6-dimethoxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Methyl-2,6-dimethoxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methylsyringol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Methylsyringol
Role
alias
Source
itcmdb_public
Preferred
No
Name
6638-05-7
Role
alias
Source
HERB_v2
Preferred
No
Name
6638-05-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
FJJ5MYE75W
Role
alias
Source
HERB_v2
Preferred
No
Name
FJJ5MYE75W
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 2,6-dimethoxy-4-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 2,6-dimethoxy-4-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Cresol, 2,6-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Cresol, 2,6-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,6-Dimethoxy-4-methylphenol3,5-Dimethoxy-4-hydroxytoluene4-Hydroxy-3,5-dimethoxytoluene4-Methyl-2,6-dimethoxyphenol4-Methylsyringol6638-05-7FJJ5MYE75WPhenol, 2,6-dimethoxy-4-methyl-p-Cresol, 2,6-dimethoxy-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004903
Npass
NPC193067
Tcmid
40746
Sym Map
SMIT20548
Pub Chem
240925
Tcmbank
TCMBANKIN005929
Itcmdb Generated
ITX-INGREDIENT-B77EF9BB3A56
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3
Mol Wt
168.192
Smiles
CC1=CC(=C(C(=C1)OC)O)OC
Mol Log P
1.71782
Version
v2
In Ch Ikey
ZFBNNSOJNZBLLS-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.73
Num Hacceptors
3
Isomeric Smiles
CC1=CC(=C(C(=C1)OC)O)OC
Canonical Smiles
CC1=CC(=C(C(=C1)OC)O)OC
Herb Alias Names
2,6-Dimethoxy-4-methylphenol6638-05-74-Methyl-2,6-dimethoxyphenol4-MethylsyringolPhenol, 2,6-dimethoxy-4-methyl-3,5-Dimethoxy-4-hydroxytoluenep-Cresol, 2,6-dimethoxy-4-Hydroxy-3,5-dimethoxytolueneFJJ5MYE75W
Molecular Weight
168.19 g/mol
Molecular Formula
C9H12O3
Molecular Formula
C9H12O3
Num Rotatable Bonds
2