Natural Product: NPC327092

Natural Product ID:  NPC327092
Common Name:   Tetrahydrofuran
IUPAC Name:   oxolane
Synonyms:   Tetrahydro-Furan
Molecular Formula:   C4H8O
Standard InCHIKey:  WYURNTSHIVDZCO-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
Canonical SMILES:  C1CCCO1
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 Faeces PMID[19167006]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[1911404]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set

  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 NPC327092 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
0.7619 Intermediate Similarity NPC61373
0.6522 Remote Similarity NPC83726
0.64 Remote Similarity NPC3693
0.6364 Remote Similarity NPC43196
0.6296 Remote Similarity NPC234005
0.6154 Remote Similarity NPC166804
0.6154 Remote Similarity NPC128335
0.6087 Remote Similarity NPC294703
0.6087 Remote Similarity NPC321400
0.6 Remote Similarity NPC8368
0.6 Remote Similarity NPC110107
0.5926 Remote Similarity NPC143211
0.5926 Remote Similarity NPC248233
0.5909 Remote Similarity NPC328688
0.5833 Remote Similarity NPC219266
0.5806 Remote Similarity NPC227267
0.5769 Remote Similarity NPC32280
0.5769 Remote Similarity NPC41485
0.5769 Remote Similarity NPC304786
0.5714 Remote Similarity NPC238135
0.5714 Remote Similarity NPC317739
0.5714 Remote Similarity NPC281943
0.56 Remote Similarity NPC23508
0.56 Remote Similarity NPC52403
0.56 Remote Similarity NPC208021

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC327092 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
0.7368 Intermediate Similarity NPD8547 Phase 2

Structure

External Identifiers

PubChem CID   8028
ChEMBL   CHEMBL276521
ZINC  

Physicochemical Properties

Molecular Weight:  72.06
ALogP:  -0.7069
MLogP:  1.79
XLogP:  0.526
# Rotatable Bonds:  0
Polar Surface Area:  9.23
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  5

Download Data

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Similar NPs/Drugs