Natural Product: NPC226340

Natural Product ID:  NPC226340
Common Name:   Dimethylamine
IUPAC Name:   N-methylmethanamine
Synonyms:   Dimethyl-Amine; Dimethylamine; Dimethylammonium
Molecular Formula:   C2H7N
Standard InCHIKey:  ROSDSFDQCJNGOL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C2H7N/c1-3-2/h3H,1-2H3
Canonical SMILES:  CNC
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO15688 Astragalus oxyphysus Species Fabaceae Eukaryota UNPD*
NPO10029 Prunus dulcis Species Rosaceae Eukaryota UNPD*
NPO17305 Oenanthe phellandrium Species Muscicapidae Eukaryota UNPD*
NPO19343 Centaurea glastifolia Species Asteraceae Eukaryota UNPD*
NPO19214 Polyscias scutellaria Species Araliaceae Eukaryota UNPD*
NPO19542 Grindelia havardii Species Asteraceae Eukaryota UNPD*
NPO14500 Pyrus pyraster Species Rosaceae Eukaryota UNPD*
NPO19673 Galanthus nivalis Species Amaryllidaceae Eukaryota UNPD*
NPO18559 Cucumaria okhotensis Species Cucumariidae Eukaryota UNPD*
NPO3536 Calceolaria andina Species Calceolariaceae Eukaryota UNPD*
NPO2016 Asarum europaeum Species Aristolochiaceae Eukaryota UNPD*
NPO19602 Nephelium maingayi Species Sapindaceae Eukaryota UNPD*
NPO19474 Clavaria pyxidata Species Clavariaceae Eukaryota UNPD*
NPO17557 Hydrodictyon reticulatum Species Hydrodictyaceae Eukaryota UNPD*
NPO5316 Parapristipoma trilineatum Species Haemulidae Eukaryota UNPD*
NPO8918 Plantago depressa Species Plantaginaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[18502700]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[1576707]
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[19259987]
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[19167006]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[22932811]
NPO8884 Cuscuta reflexa Species Convolvulaceae Eukaryota UNPD*
NPO18991 Senecio candollei Species Asteraceae Eukaryota UNPD*
NPO19801 Euphorbia armena Species Euphorbiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC > 100 ug/ml 19828313
NPT2 Others Unspecified MIC > 100 ug/ml 19828313
NPT602 Organism Mycobacterium smegmatis Mycobacterium smegmatis MIC > 100 ug/ml 19828313
NPT3043 Individual Protein Choline transporter Mus musculus Ki = 9418895.97 nM 20637607

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC226340 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.6923 Remote Similarity NPC77662
0.619 Remote Similarity NPC119368
0.6 Remote Similarity NPC274538
0.6 Remote Similarity NPC246534
0.5625 Remote Similarity NPC35268

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC226340 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
NPD

Structure

External Identifiers

PubChem CID   674
ChEMBL   CHEMBL120433
ZINC  

Physicochemical Properties

Molecular Weight:  45.06
ALogP:  -0.2158
MLogP:  1.57
XLogP:  -0.176
# Rotatable Bonds:  2
Polar Surface Area:  12.03
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  3

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