Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5178
- Core Entity Id
- 8943
- Source Entity Count
- 1
- Preferred Name
- 3-prenyl-4-hydroxyacetophenone
- Name En
- Pubchem Id
- 442916
- Smiles Canonical
- CC(=CCC1=C(C=CC(=C1)C(=O)C)O)C
- Molecular Formula
- C13H16O2
- Molecular Weight
- 204.2690
- Inchikey
- QJAPFSSVKIZTMR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H16O2/c1-9(2)4-5-12-8-11(10(3)14)6-7-13(12)15/h4,6-8,15H,5H2,1-3H3
- Isomeric Smiles
- CC(=CCC1=C(C=CC(=C1)C(=O)C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.1035
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-PRENYL-4-HYDROXYACETOPHENONE
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-prenyl-4-hydroxyacetophenone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-prenyl-4-hydroxyacetophenone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
26932-05-8
Role
alias
Source
HERB_v2
Preferred
No
Name
26932-05-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
35816-89-8
Role
alias
Source
HERB_v2
Preferred
No
Name
35816-89-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
4'-Hydroxy-3'-prenylacetophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
4'-Hydroxy-3'-prenylacetophenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Acetyl-2-prenylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Acetyl-2-prenylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-hydroxy-3-(3-methyl-2-butenyl)acetophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
4-hydroxy-3-(3-methyl-2-butenyl)acetophenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethanone, 1-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethanone, 1-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spectrum_000164
Role
alias
Source
HERB_v2
Preferred
No
Name
Spectrum_000164
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone26932-05-835816-89-84'-Hydroxy-3'-prenylacetophenone4-Acetyl-2-prenylphenol4-hydroxy-3-(3-methyl-2-butenyl)acetophenoneEthanone, 1-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-Spectrum_000164
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009477
Npass
NPC242136
Tcmid
10471
Pub Chem
442916
Tcmbank
TCMBANKIN014890
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H16O2/c1-9(2)4-5-12-8-11(10(3)14)6-7-13(12)15/h4,6-8,15H,5H2,1-3H3
Mol Wt
204.269
Smiles
CC(=CCC1=C(C=CC(=C1)C(=O)C)O)C
Mol Log P
3.103500000000001
In Ch Ikey
QJAPFSSVKIZTMR-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.606
Num Hacceptors
2
Isomeric Smiles
CC(=CCC1=C(C=CC(=C1)C(=O)C)O)C
Canonical Smiles
CC(=CCC1=C(C=CC(=C1)C(=O)C)O)C
Herb Alias Names
26932-05-81-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone4-hydroxy-3-(3-methyl-2-butenyl)acetophenone4'-Hydroxy-3'-prenylacetophenone35816-89-8Ethanone, 1-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-oneSpectrum_0001644-Acetyl-2-prenylphenol
Molecular Weight
204.26 g/mol
Molecular Formula
C13H16O2
Molecular Formula
C13H16O2
Num Rotatable Bonds
3