Natural Product: NPC159900

Natural Product ID:  NPC159900
Common Name:   Formic Acid
IUPAC Name:   hydron;formate
Synonyms:   E236
Molecular Formula:   CH2O2
Standard InCHIKey:  BDAGIHXWWSANSR-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
Canonical SMILES:  OC=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
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[19259987]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[11007345]
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[18052033]
NPO23656 Typha latifolia Species Typhaceae Eukaryota TCM_Taiwan*
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota TCM_Taiwan*
NPO27297 Mylabris Species Meloidae Eukaryota TCMSP*
NPO10477 Bomboo juice NA NA NA TCMSP*
NPO29600 Stemonae radix NA NA NA TCMSP*
NPO16472 Ginkgo semen Species Ginkgoaceae Eukaryota TCMSP*
NPO21889 Pollen typhae NA NA NA TCMSP*
NPO18195 Maydis seigma NA NA NA TCMSP*
NPO29551 Mori fructus NA NA NA TCMSP*
NPO17237 Ephedra herba Species Ephedraceae Eukaryota TCMSP*
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota TM-MC*
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota TM-MC*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota TM-MC*
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota TM-MC*
NPO523 Tussilago farfara Species Asteraceae Eukaryota TM-MC*
NPO14484 Echinacea purpurea Species Asteraceae Eukaryota TCMID*
NPO4203 Phlomoides rotata Species Lamiaceae Eukaryota TCMID*
NPO14484 Echinacea purpurea Species Asteraceae Eukaryota HerDing*
NPO16066 Urtica cannabina Species Urticaceae Eukaryota TCM_Taiwan*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[8033847]
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[18502700]
NPO1797 Homo sapiens Species Hominidae Eukaryota breast milk PMID[24027187]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus LD50 = 1076 mg/kg 19465932
NPT2 Others Unspecified Inhibition = 3 % 19278021

  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 NPC159900 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
0.6154 Remote Similarity NPC327795
0.5882 Remote Similarity NPC117411

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC159900 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
0.6154 Remote Similarity NPD9748 Approved
0.6154 Remote Similarity NPD9746 Approved
0.6154 Remote Similarity NPD9749 Approved

Structure

External Identifiers

PubChem CID   18971002;284
ChEMBL   CHEMBL116736
ZINC  

Physicochemical Properties

Molecular Weight:  46.01
ALogP:  -0.3087
MLogP:  1.35
XLogP:  -0.316
# Rotatable Bonds:  1
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  3

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