Natural Product: NPC147824

Natural Product ID:  NPC147824
Common Name:   Furan-2(5H)-One
IUPAC Name:   2H-furan-5-one
Synonyms:   Furan-2(5H)-one
Molecular Formula:   C4H4O2
Standard InCHIKey:  VIHAEDVKXSOUAT-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2
Canonical SMILES:  C1OC(=O)C=C1
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
NPO22810 Streptomyces Species Streptomycetaceae Bacteria StreptomeDB*
NPO9445 Crocus sativus Species Iridaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 13600 nM 22137345
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki > 100000 nM 22137345
NPT948 Individual Protein Carbonic anhydrase IX Homo sapiens Ki = 4420 nM 22137345

  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 NPC147824 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
0.8889 High Similarity NPC122676
0.825 Intermediate Similarity NPC281043
0.7857 Intermediate Similarity NPC41409
0.7805 Intermediate Similarity NPC297608
0.7692 Intermediate Similarity NPC65353
0.7632 Intermediate Similarity NPC63354
0.7561 Intermediate Similarity NPC298413
0.7391 Intermediate Similarity NPC90490
0.7381 Intermediate Similarity NPC250954
0.725 Intermediate Similarity NPC9290
0.7234 Intermediate Similarity NPC82446
0.7083 Intermediate Similarity NPC15789
0.7083 Intermediate Similarity NPC275316
0.7045 Intermediate Similarity NPC57923
0.7027 Intermediate Similarity NPC323552
0.7 Intermediate Similarity NPC60675
0.7 Intermediate Similarity NPC297363
0.6977 Remote Similarity NPC203382
0.6863 Remote Similarity NPC159535
0.6863 Remote Similarity NPC151761
0.675 Remote Similarity NPC98098
0.675 Remote Similarity NPC224651
0.6735 Remote Similarity NPC236338
0.6667 Remote Similarity NPC107877
0.6604 Remote Similarity NPC245002
0.6604 Remote Similarity NPC230296
0.6522 Remote Similarity NPC40805
0.6522 Remote Similarity NPC103560
0.6512 Remote Similarity NPC63598
0.6444 Remote Similarity NPC159773
0.6429 Remote Similarity NPC130953
0.6429 Remote Similarity NPC98519
0.6327 Remote Similarity NPC128520
0.625 Remote Similarity NPC47946
0.625 Remote Similarity NPC26600
0.625 Remote Similarity NPC270706
0.6222 Remote Similarity NPC8270
0.6207 Remote Similarity NPC179087
0.6207 Remote Similarity NPC473737
0.6207 Remote Similarity NPC210303
0.6207 Remote Similarity NPC44343
0.6182 Remote Similarity NPC129150
0.6182 Remote Similarity NPC294938
0.6154 Remote Similarity NPC8466
0.6136 Remote Similarity NPC226511
0.6122 Remote Similarity NPC128280
0.6122 Remote Similarity NPC197467
0.6111 Remote Similarity NPC478117
0.6087 Remote Similarity NPC221250
0.6071 Remote Similarity NPC189700
0.6071 Remote Similarity NPC223679
0.6071 Remote Similarity NPC474084
0.6071 Remote Similarity NPC254095
0.6047 Remote Similarity NPC308418
0.6042 Remote Similarity NPC312547
0.6042 Remote Similarity NPC51329
0.6034 Remote Similarity NPC151648
0.6 Remote Similarity NPC150717
0.6 Remote Similarity NPC51846
0.5965 Remote Similarity NPC97570
0.5965 Remote Similarity NPC159650
0.5965 Remote Similarity NPC286189
0.5965 Remote Similarity NPC302564
0.5965 Remote Similarity NPC22897
0.5965 Remote Similarity NPC82465
0.5957 Remote Similarity NPC102879
0.5957 Remote Similarity NPC190649
0.5952 Remote Similarity NPC310810
0.5932 Remote Similarity NPC68110
0.5918 Remote Similarity NPC172042
0.5902 Remote Similarity NPC276299
0.5897 Remote Similarity NPC20903
0.5893 Remote Similarity NPC135863
0.5893 Remote Similarity NPC249850
0.5893 Remote Similarity NPC293437
0.5882 Remote Similarity NPC234084
0.5882 Remote Similarity NPC135698
0.5882 Remote Similarity NPC126184
0.587 Remote Similarity NPC123357
0.5862 Remote Similarity NPC26223
0.5862 Remote Similarity NPC309408
0.5849 Remote Similarity NPC106531
0.5849 Remote Similarity NPC191643
0.5806 Remote Similarity NPC225272
0.5789 Remote Similarity NPC21946
0.5763 Remote Similarity NPC26810
0.5741 Remote Similarity NPC327103
0.5741 Remote Similarity NPC477781
0.5741 Remote Similarity NPC477780
0.5738 Remote Similarity NPC182794
0.5738 Remote Similarity NPC133904
0.5714 Remote Similarity NPC221763
0.5714 Remote Similarity NPC144407
0.5714 Remote Similarity NPC218477
0.5714 Remote Similarity NPC86948
0.569 Remote Similarity NPC133600
0.5686 Remote Similarity NPC68577
0.5652 Remote Similarity NPC200147
0.5645 Remote Similarity NPC37382
0.5645 Remote Similarity NPC248125
0.5636 Remote Similarity NPC269615
0.5636 Remote Similarity NPC478120
0.5625 Remote Similarity NPC187922

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC147824 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
0.7949 Intermediate Similarity NPD9115 Approved
0.675 Remote Similarity NPD8573 Approved
0.5897 Remote Similarity NPD8187 Phase 3
0.566 Remote Similarity NPD6927 Phase 3
0.561 Remote Similarity NPD9114 Clinical (unspecified phase)
0.56 Remote Similarity NPD9378 Approved

Structure

External Identifiers

PubChem CID   10341
ChEMBL   CHEMBL166223
ZINC  

Physicochemical Properties

Molecular Weight:  84.02
ALogP:  0.2816
MLogP:  1.68
XLogP:  0.308
# Rotatable Bonds:  0
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  6

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs