Natural Product: NPC120468

Natural Product ID:  NPC120468
Common Name:   Formaldehyde
IUPAC Name:   formaldehyde
Synonyms:   Dowling's; E240; Formaldehyde; Formalin; Veracur
Molecular Formula:   CH2O
Standard InCHIKey:  WSFSSNUMVMOOMR-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/CH2O/c1-2/h1H2
Canonical SMILES:  C=O
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
NPO10449 Arctium lappa Species Asteraceae Eukaryota TCM_Taiwan*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood DOI[10.1007/BF02163668]
NPO1797 Homo sapiens Species Hominidae Eukaryota DOI[10.1038/nbt.2488]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[17618393]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO21658 Saccharomyces cerevisiae Species Saccharomycetaceae Eukaryota PMID[24678285]
NPO25014 Achillea millefolium Species Asteraceae Eukaryota TCM_Taiwan*
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 28616.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Activity = 53.2 % 26541587

  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 NPC120468 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
NPC

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC120468 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   712
ChEMBL   CHEMBL1255
ZINC  

Physicochemical Properties

Molecular Weight:  30.01
ALogP:  -0.8841
MLogP:  1.46
XLogP:  0.021
# Rotatable Bonds:  0
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  2

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs