Natural Product: NPC283850

Natural Product ID:  NPC283850
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H20O4
Standard InCHIKey:  MTWJZPQSLLTADW-CVMXMQRSSA-N
Standard InCHI:  InChI=1S/C15H20O4/c1-8-4-5-10-15(19-10)6-11-14(17,7-13(8,15)3)9(2)12(16)18-11/h8,10-11,17H,2,4-7H2,1,3H3/t8-,10-,11+,13+,14-,15-/m0/s1
Canonical SMILES:  O=C1O[C@H]2[C@](C1=C)(O)C[C@]1([C@@]3(C2)O[C@H]3CC[C@@H]1C)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
NPO33420 xylaria sp. bcc 21097 Species Xylariaceae Eukaryota PMID[20155932]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens IC50 = 10000 nM 19928902
NPT91 Cell Line KB Homo sapiens IC50 = 10000 nM 19928902
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 47000 nM 17630726
NPT20 Organism Candida albicans Candida albicans IC50 = 7800 nM 17915849
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 13000 nM PubChem BioAssay data set
NPT639 Cell Line NCI-H187 Homo sapiens IC50 = 5800 nM 17506585
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 9400 nM 23317013

  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 NPC283850 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
0.9691 High Similarity NPC99510
0.9691 High Similarity NPC72842
0.91 High Similarity NPC61442
0.898 High Similarity NPC136781
0.89 High Similarity NPC475958
0.8878 High Similarity NPC473964
0.8878 High Similarity NPC93245
0.8868 High Similarity NPC477126
0.8788 High Similarity NPC473963
0.875 High Similarity NPC37628
0.8713 High Similarity NPC308824
0.8673 High Similarity NPC469596
0.8673 High Similarity NPC24861
0.8673 High Similarity NPC225474
0.8673 High Similarity NPC148000
0.8654 High Similarity NPC284732
0.8654 High Similarity NPC78966
0.86 High Similarity NPC474921
0.86 High Similarity NPC474395
0.8586 High Similarity NPC90014
0.8586 High Similarity NPC157686
0.8586 High Similarity NPC259042
0.8586 High Similarity NPC56369
0.8544 High Similarity NPC156681
0.8529 High Similarity NPC98225
0.8485 Intermediate Similarity NPC66581
0.8462 Intermediate Similarity NPC296950
0.8462 Intermediate Similarity NPC146731
0.8455 Intermediate Similarity NPC58662
0.8447 Intermediate Similarity NPC164551
0.8431 Intermediate Similarity NPC477656
0.8426 Intermediate Similarity NPC42658
0.8426 Intermediate Similarity NPC269530
0.8367 Intermediate Similarity NPC475776
0.835 Intermediate Similarity NPC242666
0.8333 Intermediate Similarity NPC469656
0.8333 Intermediate Similarity NPC469655
0.8333 Intermediate Similarity NPC474846
0.8317 Intermediate Similarity NPC284518
0.8288 Intermediate Similarity NPC469684
0.8286 Intermediate Similarity NPC477127
0.8265 Intermediate Similarity NPC194642
0.8265 Intermediate Similarity NPC116620
0.8252 Intermediate Similarity NPC477655
0.8252 Intermediate Similarity NPC47024
0.8224 Intermediate Similarity NPC94377
0.8214 Intermediate Similarity NPC108581
0.8214 Intermediate Similarity NPC478206
0.8214 Intermediate Similarity NPC478205
0.82 Intermediate Similarity NPC147272
0.8198 Intermediate Similarity NPC270478
0.819 Intermediate Similarity NPC159533
0.8182 Intermediate Similarity NPC89018
0.8173 Intermediate Similarity NPC111292
0.8165 Intermediate Similarity NPC157476
0.8155 Intermediate Similarity NPC476806
0.8155 Intermediate Similarity NPC476807
0.8155 Intermediate Similarity NPC216478
0.8148 Intermediate Similarity NPC299590
0.8148 Intermediate Similarity NPC474243
0.8148 Intermediate Similarity NPC154906
0.8144 Intermediate Similarity NPC9231
0.8137 Intermediate Similarity NPC165528
0.8137 Intermediate Similarity NPC228766
0.8131 Intermediate Similarity NPC67321
0.8131 Intermediate Similarity NPC187435
0.8131 Intermediate Similarity NPC180744
0.8125 Intermediate Similarity NPC53396
0.8125 Intermediate Similarity NPC98249
0.8125 Intermediate Similarity NPC478204
0.8125 Intermediate Similarity NPC13713
0.8108 Intermediate Similarity NPC73314
0.8108 Intermediate Similarity NPC226608
0.8108 Intermediate Similarity NPC88867
0.8091 Intermediate Similarity NPC472002
0.8073 Intermediate Similarity NPC235014
0.8073 Intermediate Similarity NPC253906
0.807 Intermediate Similarity NPC154491
0.807 Intermediate Similarity NPC268530
0.8061 Intermediate Similarity NPC181103
0.8061 Intermediate Similarity NPC305029
0.8061 Intermediate Similarity NPC175293
0.8056 Intermediate Similarity NPC289702
0.8056 Intermediate Similarity NPC218123
0.8056 Intermediate Similarity NPC208461
0.8056 Intermediate Similarity NPC112895
0.8056 Intermediate Similarity NPC273155
0.8056 Intermediate Similarity NPC231278
0.8056 Intermediate Similarity NPC181994
0.8053 Intermediate Similarity NPC240509
0.8053 Intermediate Similarity NPC284707
0.8036 Intermediate Similarity NPC477509
0.8036 Intermediate Similarity NPC470466
0.8034 Intermediate Similarity NPC293112
0.8 Intermediate Similarity NPC153853
0.8 Intermediate Similarity NPC94650
0.8 Intermediate Similarity NPC4021
0.8 Intermediate Similarity NPC159456
0.8 Intermediate Similarity NPC67569
0.7982 Intermediate Similarity NPC470186
0.7965 Intermediate Similarity NPC470775
0.7965 Intermediate Similarity NPC296822
0.7965 Intermediate Similarity NPC176513
0.7963 Intermediate Similarity NPC166993
0.7961 Intermediate Similarity NPC256227
0.7959 Intermediate Similarity NPC85698
0.7949 Intermediate Similarity NPC81736
0.7949 Intermediate Similarity NPC172154
0.7946 Intermediate Similarity NPC117712
0.7941 Intermediate Similarity NPC474841
0.7941 Intermediate Similarity NPC471446
0.7941 Intermediate Similarity NPC473434
0.7931 Intermediate Similarity NPC23786
0.7931 Intermediate Similarity NPC470265
0.7931 Intermediate Similarity NPC170538
0.7928 Intermediate Similarity NPC476964
0.7928 Intermediate Similarity NPC473877
0.7913 Intermediate Similarity NPC251226
0.7913 Intermediate Similarity NPC475003
0.7909 Intermediate Similarity NPC156248
0.7909 Intermediate Similarity NPC140409
0.7909 Intermediate Similarity NPC11491
0.7909 Intermediate Similarity NPC474567
0.79 Intermediate Similarity NPC77001
0.79 Intermediate Similarity NPC253618
0.789 Intermediate Similarity NPC255082
0.789 Intermediate Similarity NPC469916
0.789 Intermediate Similarity NPC306265
0.789 Intermediate Similarity NPC472439
0.7885 Intermediate Similarity NPC199099
0.7881 Intermediate Similarity NPC473635
0.7876 Intermediate Similarity NPC474333
0.7876 Intermediate Similarity NPC471127
0.7876 Intermediate Similarity NPC154363
0.7876 Intermediate Similarity NPC234858
0.7876 Intermediate Similarity NPC179626
0.787 Intermediate Similarity NPC200957
0.787 Intermediate Similarity NPC138908
0.7864 Intermediate Similarity NPC111273
0.7863 Intermediate Similarity NPC469789
0.7863 Intermediate Similarity NPC11895
0.7863 Intermediate Similarity NPC67251
0.7857 Intermediate Similarity NPC478212
0.7857 Intermediate Similarity NPC475966
0.785 Intermediate Similarity NPC474822
0.785 Intermediate Similarity NPC277074
0.785 Intermediate Similarity NPC209298
0.7845 Intermediate Similarity NPC477046
0.7845 Intermediate Similarity NPC102822
0.7838 Intermediate Similarity NPC170294
0.7838 Intermediate Similarity NPC317107
0.7838 Intermediate Similarity NPC29505
0.7838 Intermediate Similarity NPC470467
0.7826 Intermediate Similarity NPC230513
0.7826 Intermediate Similarity NPC42673
0.7818 Intermediate Similarity NPC102741
0.7818 Intermediate Similarity NPC42662
0.7818 Intermediate Similarity NPC469370
0.781 Intermediate Similarity NPC124512
0.781 Intermediate Similarity NPC278386
0.781 Intermediate Similarity NPC159763
0.7807 Intermediate Similarity NPC470854
0.7807 Intermediate Similarity NPC97908
0.7807 Intermediate Similarity NPC122033
0.7807 Intermediate Similarity NPC287343
0.7807 Intermediate Similarity NPC10721
0.7807 Intermediate Similarity NPC474654
0.78 Intermediate Similarity NPC50847
0.7797 Intermediate Similarity NPC24651
0.7797 Intermediate Similarity NPC8369
0.7788 Intermediate Similarity NPC472400
0.7778 Intermediate Similarity NPC185638
0.7778 Intermediate Similarity NPC258532
0.7778 Intermediate Similarity NPC301787
0.7778 Intermediate Similarity NPC477920
0.7768 Intermediate Similarity NPC222834
0.7768 Intermediate Similarity NPC317687
0.7768 Intermediate Similarity NPC473397
0.7768 Intermediate Similarity NPC470468
0.7759 Intermediate Similarity NPC112038
0.7759 Intermediate Similarity NPC143755
0.7759 Intermediate Similarity NPC329008
0.7759 Intermediate Similarity NPC475885
0.7759 Intermediate Similarity NPC317635
0.7757 Intermediate Similarity NPC58329
0.7757 Intermediate Similarity NPC471914
0.7757 Intermediate Similarity NPC476081
0.7757 Intermediate Similarity NPC295791
0.7755 Intermediate Similarity NPC97505
0.7755 Intermediate Similarity NPC130966
0.7748 Intermediate Similarity NPC100908
0.7748 Intermediate Similarity NPC85391
0.7748 Intermediate Similarity NPC472215
0.7748 Intermediate Similarity NPC471093
0.7748 Intermediate Similarity NPC5103
0.7748 Intermediate Similarity NPC472214
0.7739 Intermediate Similarity NPC470776
0.7739 Intermediate Similarity NPC146280
0.7739 Intermediate Similarity NPC124676
0.7739 Intermediate Similarity NPC50774

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC283850 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
0.8148 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.8073 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.8056 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.781 Intermediate Similarity NPD4225 Approved
0.7798 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7652 Intermediate Similarity NPD7115 Discovery
0.7339 Intermediate Similarity NPD5344 Discontinued
0.725 Intermediate Similarity NPD6921 Approved
0.7182 Intermediate Similarity NPD1700 Approved
0.7091 Intermediate Similarity NPD6648 Approved
0.6983 Remote Similarity NPD6371 Approved
0.6957 Remote Similarity NPD6686 Approved
0.6949 Remote Similarity NPD8133 Approved
0.6937 Remote Similarity NPD7639 Approved
0.6937 Remote Similarity NPD7640 Approved
0.693 Remote Similarity NPD6008 Approved
0.6885 Remote Similarity NPD6319 Approved
0.685 Remote Similarity NPD7319 Approved
0.6847 Remote Similarity NPD7638 Approved
0.6759 Remote Similarity NPD8035 Phase 2
0.6759 Remote Similarity NPD8034 Phase 2
0.6752 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6724 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7632 Discontinued
0.6667 Remote Similarity NPD1694 Approved
0.6667 Remote Similarity NPD7516 Approved
0.6667 Remote Similarity NPD6698 Approved
0.6667 Remote Similarity NPD7492 Approved
0.6667 Remote Similarity NPD4632 Approved
0.6667 Remote Similarity NPD46 Approved
0.6667 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6639 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6614 Remote Similarity NPD6616 Approved
0.6614 Remote Similarity NPD7507 Approved
0.6613 Remote Similarity NPD6054 Approved
0.6585 Remote Similarity NPD7327 Approved
0.6585 Remote Similarity NPD7328 Approved
0.6577 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6574 Remote Similarity NPD1695 Approved
0.6562 Remote Similarity NPD7078 Approved
0.656 Remote Similarity NPD8515 Approved
0.656 Remote Similarity NPD6016 Approved
0.656 Remote Similarity NPD8517 Approved
0.656 Remote Similarity NPD6015 Approved
0.656 Remote Similarity NPD8513 Phase 3
0.656 Remote Similarity NPD8516 Approved
0.6545 Remote Similarity NPD6399 Phase 3
0.6512 Remote Similarity NPD7736 Approved
0.6508 Remote Similarity NPD6370 Approved
0.6508 Remote Similarity NPD5988 Approved
0.648 Remote Similarity NPD6059 Approved
0.646 Remote Similarity NPD7902 Approved
0.6457 Remote Similarity NPD8328 Phase 3
0.6446 Remote Similarity NPD8297 Approved
0.6441 Remote Similarity NPD5697 Approved
0.6434 Remote Similarity NPD8293 Discontinued
0.6417 Remote Similarity NPD4634 Approved
0.6387 Remote Similarity NPD6899 Approved
0.6387 Remote Similarity NPD6881 Approved
0.6381 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6371 Remote Similarity NPD6009 Approved
0.6364 Remote Similarity NPD6650 Approved
0.6364 Remote Similarity NPD6649 Approved
0.6356 Remote Similarity NPD7128 Approved
0.6356 Remote Similarity NPD6675 Approved
0.6356 Remote Similarity NPD6402 Approved
0.6356 Remote Similarity NPD5739 Approved
0.6355 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6339 Remote Similarity NPD5282 Discontinued
0.6339 Remote Similarity NPD7748 Approved
0.6333 Remote Similarity NPD6012 Approved
0.6333 Remote Similarity NPD6014 Approved
0.6333 Remote Similarity NPD6373 Approved
0.6333 Remote Similarity NPD6013 Approved
0.6333 Remote Similarity NPD6372 Approved
0.6328 Remote Similarity NPD7604 Phase 2
0.6308 Remote Similarity NPD8074 Phase 3
0.6306 Remote Similarity NPD7637 Suspended
0.6303 Remote Similarity NPD5701 Approved
0.6303 Remote Similarity NPD6412 Phase 2
0.6299 Remote Similarity NPD8378 Approved
0.6299 Remote Similarity NPD8033 Approved
0.6299 Remote Similarity NPD5983 Phase 2
0.6299 Remote Similarity NPD8380 Approved
0.6299 Remote Similarity NPD8296 Approved
0.6299 Remote Similarity NPD8379 Approved
0.6299 Remote Similarity NPD8335 Approved
0.6296 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6281 Remote Similarity NPD6883 Approved
0.6281 Remote Similarity NPD7290 Approved
0.6281 Remote Similarity NPD7102 Approved
0.625 Remote Similarity NPD6011 Approved
0.625 Remote Similarity NPD7320 Approved
0.625 Remote Similarity NPD5779 Approved
0.625 Remote Similarity NPD5778 Approved
0.6239 Remote Similarity NPD5211 Phase 2
0.6239 Remote Similarity NPD7524 Approved
0.623 Remote Similarity NPD8130 Phase 1
0.623 Remote Similarity NPD6847 Approved
0.623 Remote Similarity NPD8413 Clinical (unspecified phase)
0.623 Remote Similarity NPD6617 Approved
0.623 Remote Similarity NPD6869 Approved
0.622 Remote Similarity NPD8294 Approved
0.622 Remote Similarity NPD8377 Approved
0.6216 Remote Similarity NPD7838 Discovery
0.6195 Remote Similarity NPD7900 Approved
0.6195 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6179 Remote Similarity NPD6882 Approved
0.6172 Remote Similarity NPD7503 Approved
0.6161 Remote Similarity NPD7983 Approved
0.6161 Remote Similarity NPD7515 Phase 2
0.6154 Remote Similarity NPD6115 Approved
0.6154 Remote Similarity NPD4159 Approved
0.6154 Remote Similarity NPD6114 Approved
0.6154 Remote Similarity NPD6118 Approved
0.6154 Remote Similarity NPD6697 Approved
0.6147 Remote Similarity NPD3618 Phase 1
0.614 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6134 Remote Similarity NPD5141 Approved
0.6121 Remote Similarity NPD5696 Approved
0.6107 Remote Similarity NPD6336 Discontinued
0.6071 Remote Similarity NPD3168 Discontinued
0.6071 Remote Similarity NPD5785 Approved
0.6068 Remote Similarity NPD5286 Approved
0.6068 Remote Similarity NPD5285 Approved
0.6068 Remote Similarity NPD4696 Approved
0.6058 Remote Similarity NPD6116 Phase 1
0.6048 Remote Similarity NPD6053 Discontinued
0.6034 Remote Similarity NPD6084 Phase 2
0.6034 Remote Similarity NPD4755 Approved
0.6034 Remote Similarity NPD6083 Phase 2
0.6032 Remote Similarity NPD6274 Approved
0.6018 Remote Similarity NPD6411 Approved
0.6015 Remote Similarity NPD6033 Approved
0.6 Remote Similarity NPD5695 Phase 3
0.5983 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5968 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5966 Remote Similarity NPD5225 Approved
0.5966 Remote Similarity NPD4633 Approved
0.5966 Remote Similarity NPD5226 Approved
0.5966 Remote Similarity NPD5224 Approved
0.5965 Remote Similarity NPD4202 Approved
0.5963 Remote Similarity NPD7338 Clinical (unspecified phase)
0.5962 Remote Similarity NPD6117 Approved
0.5956 Remote Similarity NPD6845 Suspended
0.5946 Remote Similarity NPD3573 Approved
0.5932 Remote Similarity NPD4700 Approved
0.5926 Remote Similarity NPD3667 Approved
0.5923 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5917 Remote Similarity NPD5174 Approved
0.5917 Remote Similarity NPD5175 Approved
0.5913 Remote Similarity NPD6001 Approved
0.5891 Remote Similarity NPD7101 Approved
0.5891 Remote Similarity NPD7100 Approved
0.5882 Remote Similarity NPD7260 Phase 2
0.5882 Remote Similarity NPD5223 Approved
0.5877 Remote Similarity NPD6079 Approved
0.5877 Remote Similarity NPD5693 Phase 1
0.5872 Remote Similarity NPD6695 Phase 3
0.5872 Remote Similarity NPD4788 Approved
0.5859 Remote Similarity NPD6317 Approved
0.5856 Remote Similarity NPD5330 Approved
0.5856 Remote Similarity NPD7146 Approved
0.5856 Remote Similarity NPD7521 Approved
0.5856 Remote Similarity NPD6409 Approved
0.5856 Remote Similarity NPD6684 Approved
0.5856 Remote Similarity NPD7334 Approved
0.5841 Remote Similarity NPD5328 Approved
0.5841 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5841 Remote Similarity NPD6101 Approved
0.5833 Remote Similarity NPD1780 Approved
0.5833 Remote Similarity NPD6067 Discontinued
0.5833 Remote Similarity NPD1779 Approved
0.5833 Remote Similarity NPD3653 Clinical (unspecified phase)
0.5818 Remote Similarity NPD4786 Approved
0.5816 Remote Similarity NPD371 Approved
0.5814 Remote Similarity NPD6335 Approved
0.5814 Remote Similarity NPD6314 Approved
0.5814 Remote Similarity NPD6313 Approved
0.5812 Remote Similarity NPD4697 Phase 3
0.5812 Remote Similarity NPD5221 Approved
0.5812 Remote Similarity NPD5222 Approved
0.5812 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5809 Remote Similarity NPD5956 Approved
0.5769 Remote Similarity NPD6113 Clinical (unspecified phase)
0.5763 Remote Similarity NPD5173 Approved
0.5752 Remote Similarity NPD6903 Approved
0.5752 Remote Similarity NPD6672 Approved
0.5752 Remote Similarity NPD5737 Approved
0.5752 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5743 Remote Similarity NPD229 Approved
0.5739 Remote Similarity NPD5284 Approved
0.5739 Remote Similarity NPD5281 Approved
0.5738 Remote Similarity NPD8170 Clinical (unspecified phase)
0.5727 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5727 Remote Similarity NPD3669 Approved
0.5726 Remote Similarity NPD4729 Approved
0.5726 Remote Similarity NPD4730 Approved
0.5726 Remote Similarity NPD5210 Approved
0.5726 Remote Similarity NPD5128 Approved

Structure

External Identifiers

PubChem CID   46211047
ChEMBL   CHEMBL1097906
ZINC  

Physicochemical Properties

Molecular Weight:  264.14
ALogP:  0.0858
MLogP:  2.67
XLogP:  1.467
# Rotatable Bonds:  3
Polar Surface Area:  59.06
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  19

Download Data

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