Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 2Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9467
- Core Entity Id
- 13691
- Source Entity Count
- 1
- Preferred Name
- Acetylfuran
- Name En
- Pubchem Id
- 14505
- Smiles Canonical
- CC(=O)C1=CC=CO1
- Molecular Formula
- C6H6O2
- Molecular Weight
- 110.1120
- Inchikey
- IEMMBWWQXVXBEU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
- Isomeric Smiles
- CC(=O)C1=CC=CO1
- Cas Id
- 80145-44-4
- Ob Score
- 49.6329
- Mol Logp
- 1.4822
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Acetylfuran
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Acetylfuran
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Acetylfuran
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-(2-Furyl)ethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(2-Furyl)ethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(furan-2-yl)ethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(furan-2-yl)ethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
1192-62-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
1192-62-7
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Acetyl furan
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Acetylfuran
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Furyl methyl ketone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Furyl methyl ketone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Furylethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Furylethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethanone, 1-(2-furanyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethanone, 1-(2-furanyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl 2-furyl ketone
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl 2-furyl ketone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2- acetyl furan;2- acetylfurfun;Acetylfuran;2-furyl methyl ketone;1-(2-furanyl)ethanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-acetylfuran
Role
alias
Source
TCMBank
Preferred
No
Name
48200_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
A16254_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
BG01496319
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:59983
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 3163
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0610977
Role
alias
Source
TCMBank
Preferred
No
Name
Furan, 2-acetyl-
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H
Role
alias
Source
TCMBank
Preferred
No
Name
Ketone, 2-furyl methyl
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00003242
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-000-871-221
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 49133
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-(2-Furyl)ethanone1-(furan-2-yl)ethanone1192-62-72-Acetyl furan2-Acetylfuran2-Furyl methyl ketone2-FurylethanoneEthanone, 1-(2-furanyl)-Methyl 2-furyl ketone2- acetyl furan;2- acetylfurfun;Acetylfuran;2-furyl methyl ketone;1-(2-furanyl)ethanone48200_FLUKAA16254_ALDRICHBG01496319CHEBI:59983FEMA No. 3163FT-0610977Furan, 2-acetyl-InChI=1/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1HKetone, 2-furyl methylMFCD00003242MolPort-000-871-221NSC 49133
Cross References
Trusted external identifiers retained for this final record.
Cas
1192-62-780145-44-4
Herb
HBIN014475HBIN005133
Npass
NPC194944
Tcmid
2361224394322923266332664
Tcmsp
MOL008653
Sym Map
SMIT09897SMIT18398SMIT18602
Tcm Id
8647
Pub Chem
14505
Tcmbank
TCMBANKIN058939
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
Mol Wt
110.112
Cas Id
80145-44-41192-62-7
Smiles
CC(=O)C1=CC=CO1
Mol Log P
1.4822
Version
v1,v2
In Ch Ikey
IEMMBWWQXVXBEU-UHFFFAOYSA-N
Ob Score
49.6329398549.633
Suppress
0
Num Hdonors
0
Drug Likeness
0.512
Num Hacceptors
2
Isomeric Smiles
CC(=O)C1=CC=CO1
Molecule Weight
110.12
Canonical Smiles
CC(=O)C1=CC=CO1
Herb Alias Names
2-Acetylfuran1192-62-71-(furan-2-yl)ethanone2-Furyl methyl ketone2-Acetyl furanEthanone, 1-(2-furanyl)-Methyl 2-furyl ketone2-Furylethanone1-(2-Furyl)ethanone
Molecular Weight
110.11 g/mol
Molecular Formula
C6H6O2
Molecular Formula
C6H6O2
Num Rotatable Bonds
1