Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4450
- Core Entity Id
- 8135
- Source Entity Count
- 1
- Preferred Name
- 3-hydroxy-1-(4-hydroxyphenyl)-1-propanone
- Name En
- Pubchem Id
- 638759
- Smiles Canonical
- C1=CC(=CC=C1C(=O)CCO)O
- Molecular Formula
- C9H10O3
- Molecular Weight
- 166.1760
- Inchikey
- LTEPZFZSPZASKJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2
- Isomeric Smiles
- C1=CC(=CC=C1C(=O)CCO)O
- Cas Id
- Ob Score
- Mol Logp
- 0.9573
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6570
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Hydroxy-1-(4-Hydroxyphenyl)-1-Propanone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-hydroxy-1-(4-hydroxyphenyl)-1-propanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-hydroxy-1-(4-hydroxyphenyl)-1-propanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-hydroxy-1-(4-hydroxyphenyl)-1-propanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-hydroxy-1-(4-hydroxyphenyl)-1-propanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-(4-hydroxyphenyl)-3-oxidanyl-propan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(4-hydroxyphenyl)-3-oxidanyl-propan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-propanone, 3-hydroxy-1-(4-hydroxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-propanone, 3-hydroxy-1-(4-hydroxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4'-Dihydroxypropiophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4'-Dihydroxypropiophenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-hydroxy-1-(4-hydroxyphenyl)propan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-hydroxy-1-(4-hydroxyphenyl)propan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
53170-93-7
Role
alias
Source
HERB_v2
Preferred
No
Name
53170-93-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
LA5SG75SZB
Role
alias
Source
HERB_v2
Preferred
No
Name
LA5SG75SZB
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD24688528
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD24688528
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS000876963
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS000876963
Role
alias
Source
itcmdb_public
Preferred
No
Name
SMR000440608
Role
alias
Source
HERB_v2
Preferred
No
Name
SMR000440608
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-(4-hydroxyphenyl)-3-oxidanyl-propan-1-one1-propanone, 3-hydroxy-1-(4-hydroxyphenyl)-3,4'-Dihydroxypropiophenone3-hydroxy-1-(4-hydroxyphenyl)propan-1-one53170-93-7LA5SG75SZBMFCD24688528MLS000876963SMR000440608
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008623
Npass
NPC114682
Tcmid
35168
Sym Map
SMIT21141
Pub Chem
638759
Tcmbank
TCMBANKIN016390
Etcm Ingredient
3-hydroxy-1-(4-hydroxyphenyl)-1-propanone
Itcmdb Generated
ITX-INGREDIENT-062C2317C211ITX-INGREDIENT-3843A8FD92AD
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2
Mol Wt
166.176
Smiles
C1=CC(=CC=C1C(=O)CCO)O
Mol Log P
0.9572999999999994
Version
v2
In Ch Ikey
LTEPZFZSPZASKJ-UHFFFAOYSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.657
Num Hacceptors
3
Isomeric Smiles
C1=CC(=CC=C1C(=O)CCO)O
Canonical Smiles
C1=CC(=CC=C1C(=O)CCO)O
Herb Alias Names
3,4'-Dihydroxypropiophenone53170-93-73-hydroxy-1-(4-hydroxyphenyl)propan-1-one1-propanone, 3-hydroxy-1-(4-hydroxyphenyl)-MLS000876963MFCD24688528SMR0004406081-(4-hydroxyphenyl)-3-oxidanyl-propan-1-oneLA5SG75SZB
Molecular Weight
166.060
Molecular Weight
166.17 g/mol
Molecular Formula
C9H10O3
Molecular Formula
C9H10O3
Molecular Formula
C9H10O3
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.657