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: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25320
- Core Entity Id
- 31336
- Source Entity Count
- 1
- Preferred Name
- M-acetylphenol
- Name En
- Pubchem Id
- 8487
- Smiles Canonical
- CC(=O)C1=CC(=CC=C1)O
- Molecular Formula
- C8H8O2
- Molecular Weight
- 136.1500
- Inchikey
- LUJMEECXHPYQOF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3
- Isomeric Smiles
- CC(=O)C1=CC(=CC=C1)O
- Cas Id
- 121-71-1
- Ob Score
- 43.5130
- Mol Logp
- 1.5948
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
M-Acetylphenol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
M-Acetylphenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
M-acetylphenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
M-acetylphenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
m-Acetylphenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
m-Acetylphenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-(3-Hydroxyphenyl)ethan-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
1-(3-Hydroxyphenyl)ethan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(3-Hydroxyphenyl)ethan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(3-Hydroxyphenyl)ethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(3-Hydroxyphenyl)ethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(3-hydroxyphenyl)ethanone
Role
alias
Source
TCMBank
Preferred
No
Name
121-71-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
121-71-1
Role
alias
Source
HERB_v2
Preferred
No
Name
121-71-1
Role
alias
Source
TCMBank
Preferred
No
Name
3'-Hydroxyacetophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
3'-Hydroxyacetophenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-ACETYLPHENOL
Role
alias
Source
HERB_v2
Preferred
No
Name
3-ACETYLPHENOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Acetylphenol
Role
alias
Source
TCMBank
Preferred
No
Name
3-HYDROXY-ACETOPHENONE
Role
alias
Source
TCMBank
Preferred
No
Name
328103_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
54170_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-14650
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS017967
Role
alias
Source
TCMBank
Preferred
No
Name
Acetophenone, 3'-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Acetophenone, 3'-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Acetophenone, 3'-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Acetophenone, 3'-hydroxy- (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 204-494-0
Role
alias
Source
TCMBank
Preferred
No
Name
Ethanone, 1-(3-hydroxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethanone, 1-(3-hydroxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
Ethanone, 1-(3-hydroxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
H18801_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 2440
Role
alias
Source
TCMBank
Preferred
No
Name
ST5213457
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00157435
Role
alias
Source
TCMBank
Preferred
No
Name
m-Hydroxyacetophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
m-Hydroxyacetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
m-Hydroxyacetophenone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-(3-Hydroxyphenyl)ethan-1-one1-(3-Hydroxyphenyl)ethanone121-71-13'-Hydroxyacetophenone3-ACETYLPHENOL3-HYDROXY-ACETOPHENONE328103_ALDRICH54170_FLUKAAI3-14650AIDS017967Acetophenone, 3'-hydroxy-Acetophenone, 3'-hydroxy- (8CI)EINECS 204-494-0Ethanone, 1-(3-hydroxyphenyl)-H18801_ALDRICHInChI=1/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1HNSC 2440ST5213457ZINC00157435m-Hydroxyacetophenone
Cross References
Trusted external identifiers retained for this final record.
Cas
121-71-1
Herb
HBIN034088
Npass
NPC34715
Tcmsp
MOL000670
Sym Map
SMIT03216
Pub Chem
8487
Tcmbank
TCMBANKIN004336
Etcm Ingredient
m-Acetylphenol
Itcmdb Generated
ITX-INGREDIENT-A4092BE705B9
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3
Mol Wt
136.15
Cas Id
121-71-1
Smiles
CC(=O)C1=CC(=CC=C1)O
Mol Log P
1.5948
Version
v1,v2
In Ch Ikey
LUJMEECXHPYQOF-UHFFFAOYSA-N
Ob Score
43.51343.5130975243.513098
Suppress
0
Num Hdonors
1
Drug Likeness
0.595
Num Hacceptors
2
Isomeric Smiles
CC(=O)C1=CC(=CC=C1)O
Molecule Weight
136.16
Canonical Smiles
CC(=O)C1=CC(=CC=C1)O
Herb Alias Names
3'-Hydroxyacetophenone121-71-13-Hydroxyacetophenone1-(3-Hydroxyphenyl)ethanonem-Hydroxyacetophenone3-ACETYLPHENOL1-(3-Hydroxyphenyl)ethan-1-oneEthanone, 1-(3-hydroxyphenyl)-Acetophenone, 3'-hydroxy-
Molecular Weight
136.050
Molecular Weight
136.15
Molecular Formula
C8H8O2
Molecular Formula
C8H8O2
Molecular Formula
C8H8O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.025
Quantitative Estimate Of Drug Likeness（Qed）
0.595