Natural Product: NPC298087

Natural Product ID:  NPC298087
Common Name:   2-Acetyl-5-Methylfuran
IUPAC Name:   1-(5-methylfuran-2-yl)ethanone
Synonyms:  
Molecular Formula:   C7H8O2
Standard InCHIKey:  KEFJLCGVTHRGAH-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
Canonical SMILES:  Cc1ccc(o1)C(=O)C
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
NPO23473 Cinnamomum kotoense Species Lauraceae Eukaryota stem wood PMID[16180806]
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[17314143]
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24421258]
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TM-MC*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 322580 nM 16180806

  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 NPC298087 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
0.9314 High Similarity NPC219969
0.8878 High Similarity NPC233791
0.8824 High Similarity NPC217226
0.8727 High Similarity NPC328451
0.8725 High Similarity NPC156768
0.8491 Intermediate Similarity NPC42471
0.8482 Intermediate Similarity NPC107482
0.8435 Intermediate Similarity NPC272487
0.8349 Intermediate Similarity NPC229387
0.8333 Intermediate Similarity NPC146316
0.8333 Intermediate Similarity NPC244293
0.8305 Intermediate Similarity NPC52035
0.7982 Intermediate Similarity NPC11821
0.7965 Intermediate Similarity NPC311987
0.7928 Intermediate Similarity NPC209111
0.7913 Intermediate Similarity NPC76844
0.7913 Intermediate Similarity NPC476014
0.7913 Intermediate Similarity NPC476031
0.7895 Intermediate Similarity NPC292036
0.7826 Intermediate Similarity NPC205523
0.7759 Intermediate Similarity NPC474987
0.7692 Intermediate Similarity NPC312525
0.7692 Intermediate Similarity NPC217180
0.7642 Intermediate Similarity NPC184391
0.7627 Intermediate Similarity NPC291619
0.7627 Intermediate Similarity NPC21831
0.7627 Intermediate Similarity NPC187547
0.7627 Intermediate Similarity NPC254958
0.7607 Intermediate Similarity NPC470860
0.7586 Intermediate Similarity NPC252004
0.7544 Intermediate Similarity NPC183648
0.7481 Intermediate Similarity NPC265181
0.7478 Intermediate Similarity NPC23332
0.7414 Intermediate Similarity NPC22678
0.7398 Intermediate Similarity NPC118853
0.7398 Intermediate Similarity NPC11799
0.7398 Intermediate Similarity NPC141252
0.7381 Intermediate Similarity NPC50583
0.7355 Intermediate Similarity NPC246214
0.7333 Intermediate Similarity NPC206007
0.7328 Intermediate Similarity NPC57879
0.728 Intermediate Similarity NPC470858
0.7273 Intermediate Similarity NPC137710
0.725 Intermediate Similarity NPC131801
0.725 Intermediate Similarity NPC227660
0.7227 Intermediate Similarity NPC28054
0.7222 Intermediate Similarity NPC141059
0.7222 Intermediate Similarity NPC237868
0.7217 Intermediate Similarity NPC473356
0.7217 Intermediate Similarity NPC471521
0.7209 Intermediate Similarity NPC473982
0.72 Intermediate Similarity NPC473885
0.72 Intermediate Similarity NPC471074
0.719 Intermediate Similarity NPC152159
0.7179 Intermediate Similarity NPC105249
0.7167 Intermediate Similarity NPC45536
0.7155 Intermediate Similarity NPC177331
0.7143 Intermediate Similarity NPC83301
0.7143 Intermediate Similarity NPC177262
0.7132 Intermediate Similarity NPC110305
0.7131 Intermediate Similarity NPC473969
0.7131 Intermediate Similarity NPC4898
0.7131 Intermediate Similarity NPC67345
0.7131 Intermediate Similarity NPC244862
0.713 Intermediate Similarity NPC140688
0.7121 Intermediate Similarity NPC303217
0.7107 Intermediate Similarity NPC469954
0.7083 Intermediate Similarity NPC220540
0.7077 Intermediate Similarity NPC324488
0.7077 Intermediate Similarity NPC471817
0.7054 Intermediate Similarity NPC66246
0.7054 Intermediate Similarity NPC170546
0.7054 Intermediate Similarity NPC939
0.7049 Intermediate Similarity NPC243704
0.7049 Intermediate Similarity NPC32298
0.704 Intermediate Similarity NPC291189
0.704 Intermediate Similarity NPC69403
0.7037 Intermediate Similarity NPC148374
0.7037 Intermediate Similarity NPC282973
0.7034 Intermediate Similarity NPC54626
0.7025 Intermediate Similarity NPC316062
0.7025 Intermediate Similarity NPC79202
0.7025 Intermediate Similarity NPC59035
0.7015 Intermediate Similarity NPC29638
0.7007 Intermediate Similarity NPC27220
0.7 Intermediate Similarity NPC475092
0.7 Intermediate Similarity NPC282230
0.7 Intermediate Similarity NPC252208
0.7 Intermediate Similarity NPC183348
0.6992 Remote Similarity NPC35744
0.6992 Remote Similarity NPC54243
0.6984 Remote Similarity NPC188377
0.6984 Remote Similarity NPC65735
0.6984 Remote Similarity NPC93730
0.6978 Remote Similarity NPC474261
0.6977 Remote Similarity NPC59502
0.6975 Remote Similarity NPC1811
0.6975 Remote Similarity NPC26157
0.697 Remote Similarity NPC200718
0.6963 Remote Similarity NPC107571
0.696 Remote Similarity NPC270807
0.696 Remote Similarity NPC174915
0.695 Remote Similarity NPC280025
0.6947 Remote Similarity NPC15083
0.6947 Remote Similarity NPC470977
0.6947 Remote Similarity NPC196979
0.6947 Remote Similarity NPC11173
0.6947 Remote Similarity NPC470976
0.694 Remote Similarity NPC163029
0.6935 Remote Similarity NPC230951
0.6929 Remote Similarity NPC221798
0.6929 Remote Similarity NPC474829
0.6929 Remote Similarity NPC250331
0.6917 Remote Similarity NPC53953
0.6901 Remote Similarity NPC226578
0.6894 Remote Similarity NPC153453
0.6894 Remote Similarity NPC470859
0.6884 Remote Similarity NPC22248
0.688 Remote Similarity NPC115859
0.688 Remote Similarity NPC225245
0.688 Remote Similarity NPC1848
0.688 Remote Similarity NPC79557
0.688 Remote Similarity NPC474136
0.688 Remote Similarity NPC97566
0.6875 Remote Similarity NPC216810
0.6875 Remote Similarity NPC473626
0.6875 Remote Similarity NPC175298
0.6875 Remote Similarity NPC165556
0.687 Remote Similarity NPC477645
0.687 Remote Similarity NPC38209
0.687 Remote Similarity NPC136340
0.6866 Remote Similarity NPC217914
0.6864 Remote Similarity NPC259554
0.6857 Remote Similarity NPC478166
0.6855 Remote Similarity NPC61779
0.685 Remote Similarity NPC472888
0.6842 Remote Similarity NPC106247
0.6842 Remote Similarity NPC477536
0.6838 Remote Similarity NPC254841
0.6838 Remote Similarity NPC62735
0.6835 Remote Similarity NPC261733
0.6835 Remote Similarity NPC267004
0.6835 Remote Similarity NPC307346
0.6835 Remote Similarity NPC218712
0.6829 Remote Similarity NPC144745
0.6829 Remote Similarity NPC208906
0.6829 Remote Similarity NPC45104
0.6829 Remote Similarity NPC217423
0.6825 Remote Similarity NPC283284
0.6825 Remote Similarity NPC263870
0.6825 Remote Similarity NPC289911
0.6825 Remote Similarity NPC314329
0.6822 Remote Similarity NPC474830
0.6822 Remote Similarity NPC475236
0.6818 Remote Similarity NPC279596
0.6814 Remote Similarity NPC132725
0.6812 Remote Similarity NPC28337
0.681 Remote Similarity NPC128730
0.6806 Remote Similarity NPC471613
0.6803 Remote Similarity NPC188907
0.6803 Remote Similarity NPC150895
0.68 Remote Similarity NPC168050
0.6797 Remote Similarity NPC107846
0.6797 Remote Similarity NPC471559
0.6788 Remote Similarity NPC473983
0.6788 Remote Similarity NPC201370
0.6786 Remote Similarity NPC114513
0.6786 Remote Similarity NPC37488
0.6786 Remote Similarity NPC195920
0.6786 Remote Similarity NPC245522
0.6783 Remote Similarity NPC298224
0.6777 Remote Similarity NPC279916
0.6777 Remote Similarity NPC11824
0.6774 Remote Similarity NPC293424
0.6774 Remote Similarity NPC171023
0.6772 Remote Similarity NPC476351
0.6772 Remote Similarity NPC311219
0.6772 Remote Similarity NPC475818
0.6769 Remote Similarity NPC286683
0.6769 Remote Similarity NPC293387
0.6765 Remote Similarity NPC477534
0.6752 Remote Similarity NPC176971
0.675 Remote Similarity NPC233238
0.6746 Remote Similarity NPC295317
0.6744 Remote Similarity NPC2771
0.6744 Remote Similarity NPC224657
0.6741 Remote Similarity NPC204592
0.6738 Remote Similarity NPC475864
0.6719 Remote Similarity NPC474691
0.6718 Remote Similarity NPC208389
0.6718 Remote Similarity NPC2401
0.6715 Remote Similarity NPC474615
0.6714 Remote Similarity NPC117674
0.6712 Remote Similarity NPC41719
0.6699 Remote Similarity NPC124576
0.6698 Remote Similarity NPC125306
0.6695 Remote Similarity NPC151530
0.6695 Remote Similarity NPC157473
0.6694 Remote Similarity NPC240664
0.6693 Remote Similarity NPC473379

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC298087 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
0.8482 Intermediate Similarity NPD9092 Discovery
0.7481 Intermediate Similarity NPD1471 Phase 3
0.728 Intermediate Similarity NPD1049 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD1241 Discontinued
0.7059 Intermediate Similarity NPD9069 Phase 1
0.6838 Remote Similarity NPD2344 Approved
0.6825 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6772 Remote Similarity NPD9717 Approved
0.6772 Remote Similarity NPD3972 Approved
0.6715 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6715 Remote Similarity NPD2353 Approved
0.6643 Remote Similarity NPD2309 Approved
0.6642 Remote Similarity NPD3140 Approved
0.6642 Remote Similarity NPD3142 Approved
0.6619 Remote Similarity NPD1243 Approved
0.6615 Remote Similarity NPD3267 Approved
0.6615 Remote Similarity NPD3266 Approved
0.6565 Remote Similarity NPD1019 Discontinued
0.6538 Remote Similarity NPD1876 Approved
0.6535 Remote Similarity NPD17 Approved
0.6525 Remote Similarity NPD9697 Approved
0.6525 Remote Similarity NPD3887 Approved
0.6525 Remote Similarity NPD2354 Approved
0.6508 Remote Similarity NPD9545 Approved
0.65 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6489 Remote Similarity NPD1203 Approved
0.6486 Remote Similarity NPD9365 Approved
0.6475 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6475 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6471 Remote Similarity NPD3134 Approved
0.6466 Remote Similarity NPD6832 Phase 2
0.6447 Remote Similarity NPD1247 Approved
0.6434 Remote Similarity NPD6799 Approved
0.6423 Remote Similarity NPD769 Approved
0.6417 Remote Similarity NPD1358 Approved
0.6403 Remote Similarity NPD2796 Approved
0.6391 Remote Similarity NPD9494 Approved
0.6385 Remote Similarity NPD1608 Approved
0.637 Remote Similarity NPD3268 Approved
0.6364 Remote Similarity NPD643 Clinical (unspecified phase)
0.632 Remote Similarity NPD690 Clinical (unspecified phase)
0.6316 Remote Similarity NPD2798 Approved
0.6316 Remote Similarity NPD919 Approved
0.6306 Remote Similarity NPD9295 Approved
0.6301 Remote Similarity NPD920 Approved
0.6277 Remote Similarity NPD4307 Phase 2
0.6277 Remote Similarity NPD1240 Approved
0.6276 Remote Similarity NPD642 Clinical (unspecified phase)
0.6259 Remote Similarity NPD957 Approved
0.6259 Remote Similarity NPD743 Approved
0.625 Remote Similarity NPD2313 Discontinued
0.625 Remote Similarity NPD411 Approved
0.6242 Remote Similarity NPD2163 Approved
0.6232 Remote Similarity NPD1933 Approved
0.6232 Remote Similarity NPD447 Suspended
0.6232 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6224 Remote Similarity NPD1562 Clinical (unspecified phase)
0.622 Remote Similarity NPD9493 Approved
0.6214 Remote Similarity NPD2799 Discontinued
0.62 Remote Similarity NPD6280 Approved
0.62 Remote Similarity NPD6279 Approved
0.6197 Remote Similarity NPD1549 Phase 2
0.619 Remote Similarity NPD3869 Phase 3
0.619 Remote Similarity NPD3873 Phase 3
0.6187 Remote Similarity NPD1607 Approved
0.6184 Remote Similarity NPD3882 Suspended
0.6174 Remote Similarity NPD6599 Discontinued
0.6172 Remote Similarity NPD5536 Phase 2
0.6165 Remote Similarity NPD3225 Approved
0.6164 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6154 Remote Similarity NPD1778 Approved
0.6148 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6134 Remote Similarity NPD291 Approved
0.6133 Remote Similarity NPD958 Approved
0.6129 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6127 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6127 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6119 Remote Similarity NPD2797 Approved
0.6118 Remote Similarity NPD2296 Approved
0.6111 Remote Similarity NPD4628 Phase 3
0.6102 Remote Similarity NPD1238 Approved
0.6099 Remote Similarity NPD3748 Approved
0.6099 Remote Similarity NPD4308 Phase 3
0.609 Remote Similarity NPD6808 Phase 2
0.6083 Remote Similarity NPD9261 Approved
0.6077 Remote Similarity NPD5585 Approved
0.6074 Remote Similarity NPD5647 Approved
0.6058 Remote Similarity NPD2598 Clinical (unspecified phase)
0.6054 Remote Similarity NPD5401 Approved
0.6053 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6051 Remote Similarity NPD3926 Phase 2
0.6034 Remote Similarity NPD9296 Approved
0.6032 Remote Similarity NPD5535 Approved
0.6026 Remote Similarity NPD7411 Suspended
0.6016 Remote Similarity NPD290 Approved
0.6015 Remote Similarity NPD1481 Phase 2
0.6014 Remote Similarity NPD5049 Phase 3
0.6014 Remote Similarity NPD6798 Discontinued
0.6014 Remote Similarity NPD2346 Discontinued
0.6014 Remote Similarity NPD1512 Approved
0.6013 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6 Remote Similarity NPD3226 Approved
0.6 Remote Similarity NPD6355 Discontinued
0.6 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6 Remote Similarity NPD1894 Discontinued
0.5988 Remote Similarity NPD6765 Approved
0.5988 Remote Similarity NPD6764 Approved
0.5987 Remote Similarity NPD6801 Discontinued
0.5986 Remote Similarity NPD1510 Phase 2
0.5973 Remote Similarity NPD5586 Clinical (unspecified phase)
0.5973 Remote Similarity NPD5403 Approved
0.5971 Remote Similarity NPD6233 Phase 2
0.5971 Remote Similarity NPD4062 Phase 3
0.5968 Remote Similarity NPD2684 Approved
0.5954 Remote Similarity NPD1651 Approved
0.5946 Remote Similarity NPD7410 Clinical (unspecified phase)
0.5944 Remote Similarity NPD1551 Phase 2
0.594 Remote Similarity NPD1535 Discovery
0.5938 Remote Similarity NPD7893 Clinical (unspecified phase)
0.5935 Remote Similarity NPD968 Approved
0.5935 Remote Similarity NPD7075 Discontinued
0.5935 Remote Similarity NPD3749 Approved
0.5931 Remote Similarity NPD2654 Approved
0.5909 Remote Similarity NPD3817 Phase 2
0.5909 Remote Similarity NPD5616 Clinical (unspecified phase)
0.5906 Remote Similarity NPD2186 Approved
0.5902 Remote Similarity NPD9501 Approved
0.5902 Remote Similarity NPD164 Approved
0.5899 Remote Similarity NPD6859 Clinical (unspecified phase)
0.5893 Remote Similarity NPD9259 Approved
0.5893 Remote Similarity NPD9257 Approved
0.589 Remote Similarity NPD3750 Approved
0.5887 Remote Similarity NPD9263 Approved
0.5887 Remote Similarity NPD5373 Approved
0.5887 Remote Similarity NPD9267 Approved
0.5887 Remote Similarity NPD9264 Approved
0.5887 Remote Similarity NPD5374 Approved
0.5882 Remote Similarity NPD6362 Approved
0.5882 Remote Similarity NPD987 Approved
0.5878 Remote Similarity NPD1511 Approved
0.5867 Remote Similarity NPD6980 Clinical (unspecified phase)
0.5865 Remote Similarity NPD3496 Discontinued
0.5857 Remote Similarity NPD8032 Phase 2
0.5855 Remote Similarity NPD6585 Discontinued
0.5852 Remote Similarity NPD4359 Approved
0.5852 Remote Similarity NPD4379 Clinical (unspecified phase)
0.5843 Remote Similarity NPD6785 Approved
0.5843 Remote Similarity NPD6784 Approved
0.584 Remote Similarity NPD9266 Approved
0.584 Remote Similarity NPD2182 Approved
0.584 Remote Similarity NPD74 Approved
0.5839 Remote Similarity NPD4661 Approved
0.5839 Remote Similarity NPD4662 Approved
0.5827 Remote Similarity NPD7095 Approved
0.5822 Remote Similarity NPD2800 Approved
0.5821 Remote Similarity NPD1281 Approved
0.5821 Remote Similarity NPD422 Phase 1
0.5817 Remote Similarity NPD5890 Approved
0.5817 Remote Similarity NPD5889 Approved
0.5813 Remote Similarity NPD2403 Approved
0.5806 Remote Similarity NPD8443 Clinical (unspecified phase)
0.5802 Remote Similarity NPD1212 Approved
0.58 Remote Similarity NPD6273 Approved
0.5797 Remote Similarity NPD454 Approved
0.5794 Remote Similarity NPD2067 Discontinued
0.5794 Remote Similarity NPD556 Approved
0.5789 Remote Similarity NPD3412 Clinical (unspecified phase)
0.5786 Remote Similarity NPD3764 Approved
0.5786 Remote Similarity NPD5668 Clinical (unspecified phase)
0.5786 Remote Similarity NPD1296 Phase 2
0.5781 Remote Similarity NPD7843 Approved
0.5781 Remote Similarity NPD821 Approved
0.5779 Remote Similarity NPD7577 Discontinued
0.5772 Remote Similarity NPD1237 Approved
0.5769 Remote Similarity NPD4947 Clinical (unspecified phase)
0.5769 Remote Similarity NPD504 Phase 2
0.5764 Remote Similarity NPD7033 Discontinued
0.5762 Remote Similarity NPD1670 Discontinued
0.576 Remote Similarity NPD9552 Approved
0.576 Remote Similarity NPD9624 Approved
0.5759 Remote Similarity NPD5494 Approved
0.5753 Remote Similarity NPD2897 Discontinued
0.5753 Remote Similarity NPD970 Clinical (unspecified phase)
0.5752 Remote Similarity NPD1140 Approved
0.5752 Remote Similarity NPD1143 Approved
0.5752 Remote Similarity NPD1141 Approved
0.5752 Remote Similarity NPD1142 Approved
0.5748 Remote Similarity NPD2673 Approved
0.5748 Remote Similarity NPD2671 Approved
0.5742 Remote Similarity NPD7819 Suspended
0.5733 Remote Similarity NPD3146 Approved
0.5733 Remote Similarity NPD3688 Clinical (unspecified phase)
0.5724 Remote Similarity NPD1501 Clinical (unspecified phase)
0.5724 Remote Similarity NPD2935 Discontinued
0.5714 Remote Similarity NPD8434 Phase 2
0.5714 Remote Similarity NPD5691 Approved
0.5714 Remote Similarity NPD4196 Clinical (unspecified phase)
0.5705 Remote Similarity NPD7440 Discontinued
0.5705 Remote Similarity NPD5402 Approved
0.5693 Remote Similarity NPD1283 Approved

Structure

External Identifiers

PubChem CID   14514
ChEMBL   CHEMBL455506
ZINC  

Physicochemical Properties

Molecular Weight:  124.05
ALogP:  0.0315
MLogP:  2.01
XLogP:  1.405
# Rotatable Bonds:  3
Polar Surface Area:  30.21
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  9

Download Data

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