Relationship Network
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1978
- Core Entity Id
- 5387
- Source Entity Count
- 1
- Preferred Name
- 2-hydroxy-4-methyl acetophenone
- Name En
- Pubchem Id
- 81338
- Smiles Canonical
- CC1=CC(=C(C=C1)C(=O)C)O
- Molecular Formula
- C9H10O2
- Molecular Weight
- 150.1770
- Inchikey
- LYKDOWJROLHYOT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H10O2/c1-6-3-4-8(7(2)10)9(11)5-6/h3-5,11H,1-2H3
- Isomeric Smiles
- CC1=CC(=C(C=C1)C(=O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.9032
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6210
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Hydroxy-4-Methyl-Acetophenone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-hydroxy-4-methyl acetophenone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-hydroxy-4-methyl acetophenone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-hydroxy-4-methyl acetophenone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-(2-Hydroxy-4-methyl-phenyl)-ethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(2-Hydroxy-4-methylphenyl)ethan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(2-Hydroxy-4-methylphenyl)ethan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(2-hydroxy-4-methylphenyl)ethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
2'-Hydroxy-4'-methylacetophenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2'-Hydroxy-4'-methylacetophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-hydroxy-4-methyl-acetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
4'-Methyl-2'-hydroxyacetophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
4'-Methyl-2'-hydroxyacetophenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
6921-64-8
Role
alias
Source
HERB_v2
Preferred
No
Name
6921-64-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethanone, 1-(2-hydroxy-4-methylphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethanone, 1-(2-hydroxy-4-methylphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q168P7RG3B
Role
alias
Source
HERB_v2
Preferred
No
Name
Q168P7RG3B
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-Q168P7RG3B
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-Q168P7RG3B
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Hydroxy-4-Methyl-Acetophenone1-(2-Hydroxy-4-methyl-phenyl)-ethanone1-(2-Hydroxy-4-methylphenyl)ethan-1-one1-(2-hydroxy-4-methylphenyl)ethanone2'-Hydroxy-4'-methylacetophenone4'-Methyl-2'-hydroxyacetophenone6921-64-8Ethanone, 1-(2-hydroxy-4-methylphenyl)-Q168P7RG3BUNII-Q168P7RG3B
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005758
Tcmid
2408025099
Sym Map
SMIT18517SMIT18774
Tcm Id
8615
Pub Chem
81338
Tcmbank
TCMBANKIN025173
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H10O2/c1-6-3-4-8(7(2)10)9(11)5-6/h3-5,11H,1-2H3
Mol Wt
150.177
Smiles
CC1=CC(=C(C=C1)C(=O)C)O
Mol Log P
1.90322
Version
v1
In Ch Ikey
LYKDOWJROLHYOT-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.621
Num Hacceptors
2
Isomeric Smiles
CC1=CC(=C(C=C1)C(=O)C)O
Canonical Smiles
CC1=CC(=C(C=C1)C(=O)C)O
Herb Alias Names
6921-64-82'-Hydroxy-4'-methylacetophenone1-(2-hydroxy-4-methylphenyl)ethanone1-(2-Hydroxy-4-methylphenyl)ethan-1-oneEthanone, 1-(2-hydroxy-4-methylphenyl)-2-hydroxy-4-methylacetophenone1-(2-Hydroxy-4-methyl-phenyl)-ethanoneUNII-Q168P7RG3BQ168P7RG3B4'-Methyl-2'-hydroxyacetophenone
Molecular Weight
150.17 g/mol
Molecular Formula
C9H10O2
Molecular Formula
C9H10O2
Num Rotatable Bonds
1