Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Meta-analysis: 1Target: 12Links: 19
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6433
- Core Entity Id
- 10329
- Source Entity Count
- 1
- Preferred Name
- Azeton
- Name En
- Pubchem Id
- 180
- Smiles Canonical
- CC(=O)C
- Molecular Formula
- C3H6O
- Molecular Weight
- 58.0800
- Inchikey
- CSCPPACGZOOCGX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C3H6O/c1-3(2)4/h1-2H3
- Isomeric Smiles
- CC(=O)C
- Cas Id
- 67-64-1
- Ob Score
- 51.3689
- Mol Logp
- 0.5953
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Azeton
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Azeton
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Azeton
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Azeton
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
.beta.-Ketopropane
Role
alias
Source
TCMBank
Preferred
No
Name
00561_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
154598_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
179124_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
179973_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2-propanone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-propanone
Role
alias
Source
TCMBank
Preferred
No
Name
2-propanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
24201_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
270725_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
320110_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
32201_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
323772_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
34480_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
34850_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
40289_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
40308_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
414689_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
439126_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
443638_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
534064_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
650501_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
67-64-1
Role
alias
Source
HERB_v2
Preferred
No
Name
67-64-1
Role
alias
Source
TCMBank
Preferred
No
Name
67-64-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
673781_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
90872_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
ACETONE
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-01238
Role
alias
Source
TCMBank
Preferred
No
Name
Aceton
Role
alias
Source
TCMBank
Preferred
No
Name
Aceton [German, Dutch, Polish]
Role
alias
Source
TCMBank
Preferred
No
Name
Acetone (NF)
Role
alias
Source
TCMBank
Preferred
No
Name
Acetone (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Acetone (natural)
Role
alias
Source
TCMBank
Preferred
No
Name
Acetone [UN1090] [Flammable liquid]
Role
alias
Source
TCMBank
Preferred
No
Name
C00207
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 5953
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:15347
Role
alias
Source
TCMBank
Preferred
No
Name
Caswell No. 004
Role
alias
Source
TCMBank
Preferred
No
Name
Chevron acetone
Role
alias
Source
TCMBank
Preferred
No
Name
D02311
Role
alias
Source
TCMBank
Preferred
No
Name
Dimethyl ketone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dimethyl ketone
Role
alias
Source
HERB_v2
Preferred
No
Name
Dimethylformaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
Dimethylformaldehyde
Role
alias
Source
TCMBank
Preferred
No
Name
Dimethylformaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dimethylketal
Role
alias
Source
TCMBank
Preferred
No
Name
Dimethylketon
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 200-662-2
Role
alias
Source
TCMBank
Preferred
No
Name
EPA Pesticide Chemical Code 004101
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 3326
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 41
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C3H6O/c1-3(2)4/h1-2H
Role
alias
Source
TCMBank
Preferred
No
Name
Ketone propane
Role
alias
Source
TCMBank
Preferred
No
Name
Ketone, dimethyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Methyl ketone
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl ketone
Role
alias
Source
TCMBank
Preferred
No
Name
Methyl ketone
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00091179-01
Role
alias
Source
TCMBank
Preferred
No
Name
NSC135802
Role
alias
Source
TCMBank
Preferred
No
Name
Propanon
Role
alias
Source
TCMBank
Preferred
No
Name
Pyroacetic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Pyroacetic ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyroacetic ether
Role
alias
Source
TCMBank
Preferred
No
Name
Pyroacetic ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
RCRA waste no. U002
Role
alias
Source
TCMBank
Preferred
No
Name
RCRA waste number U002
Role
alias
Source
TCMBank
Preferred
No
Name
ST5214392
Role
alias
Source
TCMBank
Preferred
No
Name
UN1090
Role
alias
Source
TCMBank
Preferred
No
Name
W332607_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
W332615_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: 1V1
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00895111
Role
alias
Source
TCMBank
Preferred
No
Name
acetone
Role
alias
Source
HERB_v2
Preferred
No
Name
acetone
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-Ketopropane
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-Ketopropane
Role
alias
Source
itcmdb_public
Preferred
No
Name
c0556
Role
alias
Source
TCMBank
Preferred
No
Name
dimethylcetone
Role
alias
Source
TCMBank
Preferred
No
Name
dimethylketone
Role
alias
Source
TCMBank
Preferred
No
Name
propan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
propan-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
propan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
propanone
Role
alias
Source
HERB_v2
Preferred
No
Name
propanone
Role
alias
Source
TCMBank
Preferred
No
Name
propanone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
.beta.-Ketopropane00561_FLUKA154598_SIAL179124_SIAL179973_ALDRICH2-propanone24201_RIEDEL270725_ALDRICH320110_SIAL32201_RIEDEL323772_ALDRICH34480_RIEDEL34850_SIAL40289_RIEDEL40308_RIEDEL414689_ALDRICH439126_ALDRICH443638_SIAL534064_ALDRICH650501_ALDRICH67-64-1673781_ALDRICH90872_FLUKAACETONEAI3-01238AcetonAceton [German, Dutch, Polish]Acetone (NF)Acetone (TN)Acetone (natural)Acetone [UN1090] [Flammable liquid]C00207CCRIS 5953CHEBI:15347Caswell No. 004Chevron acetoneD02311Dimethyl ketoneDimethylformaldehydeDimethylketalDimethylketonEINECS 200-662-2EPA Pesticide Chemical Code 004101FEMA No. 3326HSDB 41InChI=1/C3H6O/c1-3(2)4/h1-2HKetone propaneKetone, dimethyl-Methyl ketoneNCGC00091179-01NSC135802PropanonPyroacetic acidPyroacetic etherRCRA waste no. U002RCRA waste number U002ST5214392UN1090W332607_ALDRICHW332615_ALDRICHWLN: 1V1ZINC00895111beta-Ketopropanec0556dimethylcetonedimethylketonepropan-2-onepropanone
Cross References
Trusted external identifiers retained for this final record.
Cas
67-64-1
Herb
HBIN014420HBIN017453
Npass
NPC200333
Tcmid
32795
Tcmsp
MOL004472
Sym Map
SMIT06392
Pub Chem
180
Tcmbank
TCMBANKIN058907
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
Mol Wt
58.08
Cas Id
67-64-1
Smiles
CC(=O)C
Mol Log P
0.5952999999999999
Version
v1,v2
In Ch Ikey
CSCPPACGZOOCGX-UHFFFAOYSA-N
Ob Score
51.3688685451.36886951.369
Suppress
0
Num Hdonors
0
Drug Likeness
0.398
Num Hacceptors
1
Isomeric Smiles
CC(=O)C
Molecule Weight
58.09
Canonical Smiles
CC(=O)C
Herb Alias Names
acetone2-propanone67-64-1propanoneDimethyl ketonepropan-2-onePyroacetic etherMethyl ketoneDimethylformaldehydebeta-Ketopropane
Molecular Weight
58.08
Molecular Formula
C3H6O
Molecular Formula
C3H6O
Num Rotatable Bonds
0