IngredientID 17488

Dmf

C3H7NO

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Relationship Network

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Herb: 5Ingredient: 1Target: 12Links: 17
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
17488
Core Entity Id
22607
Source Entity Count
1
Preferred Name
Dmf
Name En
Pubchem Id
6228
Smiles Canonical
CN(C)C=O
Molecular Formula
C3H7NO
Molecular Weight
73.0950
Inchikey
ZMXDDKWLCZADIW-UHFFFAOYSA-N
Inchi
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
Isomeric Smiles
CN(C)C=O
Cas Id
25174
Ob Score
25.9900
Mol Logp
-0.2956
Num H Donors
0
Num H Acceptors
1
Num Rotatable Bonds
1
Drug Likeness
0.3900
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Dmf
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
DMF
Role
preferred
Source
TCMBank
Preferred
Yes
Name
DMF
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Dmf
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dmf
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dmf
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
68-12-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
68-12-2
Role
alias
Source
HERB_v2
Preferred
No
Name
DMFA
Role
alias
Source
HERB_v2
Preferred
No
Name
DMFA
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dimethyl formamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dimethylformamid
Role
alias
Source
HERB_v2
Preferred
No
Name
Dimethylformamid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dimethylformamide
Role
alias
Source
HERB_v2
Preferred
No
Name
Formamide, N,N-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Formamide, N,N-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
N,N-DIMETHYLFORMAMIDE
Role
alias
Source
HERB_v2
Preferred
No
Name
N,N-DIMETHYLFORMAMIDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
N,N-Dimethylmethanamide
Role
alias
Source
HERB_v2
Preferred
No
Name
N,N-Dimethylmethanamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Formyldimethylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Formyldimethylamine
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

68-12-2DMFADimethyl formamideDimethylformamidDimethylformamideFormamide, N,N-dimethyl-N,N-DIMETHYLFORMAMIDEN,N-DimethylmethanamideN-Formyldimethylamine

Cross References

Trusted external identifiers retained for this final record.

Cas
68-12-2
Hit
C0024
Herb
HBIN024066HBIN024336
Npass
NPC66757
Tcmsp
MOL008725
Sym Map
SMIT09960
Tcm Id
4854
Pub Chem
6228
Tcmbank
TCMBANKIN061286
Etcm Ingredient
DMF
Itcmdb Generated
ITX-INGREDIENT-BF96673BABFD

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
Mol Wt
73.095
Cas Id
25174
Smiles
CN(C)C=O
Mol Log P
-0.2956000000000001
Version
v1,v2
In Ch Ikey
ZMXDDKWLCZADIW-UHFFFAOYSA-N
Ob Score
25.9925.9902226525.990223
Suppress
0
Num Hdonors
0
Drug Likeness
0.39
Num Hacceptors
1
Isomeric Smiles
CN(C)C=O
Molecule Weight
73.11
Canonical Smiles
CN(C)C=O
Herb Alias Names
N,N-DIMETHYLFORMAMIDEDimethylformamide68-12-2Dimethyl formamideN,N-DimethylmethanamideN-FormyldimethylamineFormamide, N,N-dimethyl-DimethylformamidDMFA
Molecular Weight
73.050
Molecular Weight
73.09 g/mol
Molecular Formula
C3H7NO
Molecular Formula
C3H7NO
Molecular Formula
C3H7NO
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.218
Quantitative Estimate Of Drug Likeness(Qed)
0.390