Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 11Ingredient: 1Target: 12Links: 23
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25782
- Core Entity Id
- 31852
- Source Entity Count
- 1
- Preferred Name
- Mek
- Name En
- Pubchem Id
- 6569
- Smiles Canonical
- CCC(=O)C
- Molecular Formula
- C4H8O
- Molecular Weight
- 72.1070
- Inchikey
- ZWEHNKRNPOVVGH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
- Isomeric Smiles
- CCC(=O)C
- Cas Id
- 78-93-3
- Ob Score
- 62.5029
- Mol Logp
- 0.9854
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Mek
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Mek
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Mek
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-Butanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Butanone
Role
alias
Source
HERB_v2
Preferred
No
Name
78-93-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
78-93-3
Role
alias
Source
HERB_v2
Preferred
No
Name
Butan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Butan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
Butanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Butanone
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl methyl ketone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl methyl ketone
Role
alias
Source
HERB_v2
Preferred
No
Name
METHYL ETHYL KETONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
METHYL ETHYL KETONE
Role
alias
Source
HERB_v2
Preferred
No
Name
Meetco
Role
alias
Source
itcmdb_public
Preferred
No
Name
Meetco
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl acetone
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl acetone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-butanal
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
2-Butanone78-93-3Butan-2-oneButanoneEthyl methyl ketoneMETHYL ETHYL KETONEMeetcoMethyl acetone2-butanal
Cross References
Trusted external identifiers retained for this final record.
Cas
78-93-3
Hit
C1198
Herb
HBIN034648HBIN005416HBIN005418
Npass
NPC211453
Tcmid
37785
Tcmsp
MOL004320
Sym Map
SMIT06259
Tcm Id
8683
Pub Chem
6569
Tcmbank
TCMBANKIN060624
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
Mol Wt
72.107
Cas Id
78-93-3
Smiles
CCC(=O)C
Mol Log P
0.9854
Version
v1,v2
In Ch Ikey
ZWEHNKRNPOVVGH-UHFFFAOYSA-N
Ob Score
62.502875862.503
Suppress
0
Num Hdonors
0
Drug Likeness
0.451
Num Hacceptors
1
Isomeric Smiles
CCC(=O)C
Molecule Weight
72.12
Canonical Smiles
CCC(=O)C
Herb Alias Names
2-ButanoneMETHYL ETHYL KETONEButan-2-oneButanone78-93-3Ethyl methyl ketoneMethylethyl ketoneMeetcoMethyl acetoneMethylethylketone
Molecular Weight
72.11 g/mol
Molecular Formula
C4H8O
Molecular Formula
C4H8O
Num Rotatable Bonds
1