Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1041
- Core Entity Id
- 4351
- Source Entity Count
- 1
- Preferred Name
- 2,5-dimethyl-phenol
- Name En
- Pubchem Id
- 7267
- Smiles Canonical
- CC1=CC(=C(C=C1)C)O
- Molecular Formula
- C8H10O
- Molecular Weight
- 122.1670
- Inchikey
- NKTOLZVEWDHZMU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
- Isomeric Smiles
- CC1=CC(=C(C=C1)C)O
- Cas Id
- Ob Score
- Mol Logp
- 2.0090
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5580
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,5-Dimethyl-Phenol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,5-Dimethyl-Phenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,5-dimethyl-phenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,5-dimethyl-phenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,5-dimethyl-phenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Hydroxy-2,5-dimethylbenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Hydroxy-2,5-dimethylbenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,5-DIMETHYLPHENOL
Role
alias
Source
HERB_v2
Preferred
No
Name
2,5-DIMETHYLPHENOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,5-Dmp
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,5-Dmp
Role
alias
Source
HERB_v2
Preferred
No
Name
2,5-Xylenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,5-Xylenol
Role
alias
Source
HERB_v2
Preferred
No
Name
3,6-Dimethylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
3,6-Dimethylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,6-Xylenol
Role
alias
Source
HERB_v2
Preferred
No
Name
3,6-Xylenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Methyl-m-cresol
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Methyl-m-cresol
Role
alias
Source
itcmdb_public
Preferred
No
Name
95-87-4
Role
alias
Source
HERB_v2
Preferred
No
Name
95-87-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 2,5-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 2,5-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Xylenol
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Xylenol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Hydroxy-2,5-dimethylbenzene2,5-DIMETHYLPHENOL2,5-Dmp2,5-Xylenol3,6-Dimethylphenol3,6-Xylenol6-Methyl-m-cresol95-87-4Phenol, 2,5-dimethyl-p-Xylenol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004659
Npass
NPC231150
Tcmid
40373
Sym Map
SMIT20535
Pub Chem
7267
Tcmbank
TCMBANKIN017513
Itcmdb Generated
ITX-INGREDIENT-E6813B963080
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
Mol Wt
122.167
Smiles
CC1=CC(=C(C=C1)C)O
Mol Log P
2.00904
Version
v2
In Ch Ikey
NKTOLZVEWDHZMU-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.558
Num Hacceptors
1
Isomeric Smiles
CC1=CC(=C(C=C1)C)O
Canonical Smiles
CC1=CC(=C(C=C1)C)O
Herb Alias Names
2,5-DIMETHYLPHENOL95-87-42,5-Xylenolp-XylenolPhenol, 2,5-dimethyl-3,6-Dimethylphenol6-Methyl-m-cresol3,6-Xylenol1-Hydroxy-2,5-dimethylbenzene2,5-Dmp
Molecular Weight
122.16 g/mol
Molecular Formula
C8H10O
Molecular Formula
C8H10O
Num Rotatable Bonds
0