Natural Product: NPC471915

Natural Product ID:  NPC471915
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H20O5
Standard InCHIKey:  CWMOWQZTEGRBHX-QFNDOPATSA-N
Standard InCHI:  InChI=1S/C15H20O5/c1-7-4-5-9-14(19-9)6-15(18)10(8(2)12(17)20-15)11(16)13(7,14)3/h7,9,11,16,18H,4-6H2,1-3H3/t7-,9+,11+,13-,14+,15+/m0/s1
Canonical SMILES:  O=C1O[C@]2(C(=C1C)[C@@H](O)[C@]1([C@]3(C2)O[C@@H]3CC[C@@H]1C)C)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
NPO26428 Ligularia sagitta Species Asteraceae Eukaryota PMID[24913558]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT314 Organism Bacillus cereus Bacillus cereus MIC = 62.5 ug/ml 19459645
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 125 ug/ml 17950610
NPT19 Organism Escherichia coli Escherichia coli MIC = 125 ug/ml 16506833
NPT1286 Organism Pectobacterium carotovorum Pectobacterium carotovorum MIC = 125 ug/ml 17190447
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 125 ug/ml 18809939

  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 NPC471915 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
0.9556 High Similarity NPC111273
0.9551 High Similarity NPC472640
0.9551 High Similarity NPC472641
0.9545 High Similarity NPC472642
0.9438 High Similarity NPC78594
0.9362 High Similarity NPC471914
0.9355 High Similarity NPC16601
0.9263 High Similarity NPC471938
0.9167 High Similarity NPC471937
0.9121 High Similarity NPC110022
0.9032 High Similarity NPC165632
0.8977 High Similarity NPC253604
0.8864 High Similarity NPC32223
0.8763 High Similarity NPC475038
0.8763 High Similarity NPC109195
0.87 High Similarity NPC181994
0.8681 High Similarity NPC242448
0.8673 High Similarity NPC474822
0.8557 High Similarity NPC324841
0.8526 High Similarity NPC276110
0.8526 High Similarity NPC472441
0.8421 Intermediate Similarity NPC105490
0.8416 Intermediate Similarity NPC471205
0.8367 Intermediate Similarity NPC38855
0.8351 Intermediate Similarity NPC205143
0.8333 Intermediate Similarity NPC38948
0.8316 Intermediate Similarity NPC472812
0.8316 Intermediate Similarity NPC7349
0.83 Intermediate Similarity NPC165608
0.83 Intermediate Similarity NPC120009
0.83 Intermediate Similarity NPC45897
0.8265 Intermediate Similarity NPC278673
0.8265 Intermediate Similarity NPC325229
0.8265 Intermediate Similarity NPC275086
0.8261 Intermediate Similarity NPC131813
0.8252 Intermediate Similarity NPC299590
0.8252 Intermediate Similarity NPC206618
0.8247 Intermediate Similarity NPC134072
0.8247 Intermediate Similarity NPC209297
0.8247 Intermediate Similarity NPC475380
0.8247 Intermediate Similarity NPC319861
0.8247 Intermediate Similarity NPC234993
0.8235 Intermediate Similarity NPC122816
0.8235 Intermediate Similarity NPC475074
0.8229 Intermediate Similarity NPC161998
0.8229 Intermediate Similarity NPC140277
0.8211 Intermediate Similarity NPC472811
0.82 Intermediate Similarity NPC472815
0.82 Intermediate Similarity NPC58329
0.82 Intermediate Similarity NPC121423
0.82 Intermediate Similarity NPC476081
0.819 Intermediate Similarity NPC42658
0.8163 Intermediate Similarity NPC100912
0.8163 Intermediate Similarity NPC51499
0.8163 Intermediate Similarity NPC311241
0.8163 Intermediate Similarity NPC475446
0.8155 Intermediate Similarity NPC325054
0.8144 Intermediate Similarity NPC329435
0.8137 Intermediate Similarity NPC81630
0.8137 Intermediate Similarity NPC477090
0.8137 Intermediate Similarity NPC51719
0.8119 Intermediate Similarity NPC471208
0.8105 Intermediate Similarity NPC78973
0.81 Intermediate Similarity NPC11974
0.8085 Intermediate Similarity NPC472809
0.8085 Intermediate Similarity NPC472810
0.8085 Intermediate Similarity NPC93411
0.8081 Intermediate Similarity NPC72647
0.8081 Intermediate Similarity NPC107806
0.8077 Intermediate Similarity NPC31522
0.8061 Intermediate Similarity NPC194132
0.8058 Intermediate Similarity NPC187435
0.8058 Intermediate Similarity NPC67321
0.8041 Intermediate Similarity NPC57117
0.8039 Intermediate Similarity NPC161775
0.8021 Intermediate Similarity NPC473675
0.8021 Intermediate Similarity NPC329842
0.802 Intermediate Similarity NPC295791
0.802 Intermediate Similarity NPC472552
0.802 Intermediate Similarity NPC165250
0.8 Intermediate Similarity NPC10636
0.8 Intermediate Similarity NPC177047
0.8 Intermediate Similarity NPC476767
0.7981 Intermediate Similarity NPC90946
0.7981 Intermediate Similarity NPC300614
0.798 Intermediate Similarity NPC199099
0.798 Intermediate Similarity NPC287668
0.7961 Intermediate Similarity NPC218158
0.7961 Intermediate Similarity NPC34768
0.7941 Intermediate Similarity NPC196471
0.7941 Intermediate Similarity NPC10232
0.7941 Intermediate Similarity NPC281378
0.7941 Intermediate Similarity NPC187302
0.7941 Intermediate Similarity NPC189588
0.7941 Intermediate Similarity NPC97487
0.7941 Intermediate Similarity NPC159533
0.7941 Intermediate Similarity NPC120321
0.7938 Intermediate Similarity NPC139692
0.7938 Intermediate Similarity NPC152778
0.7938 Intermediate Similarity NPC205034
0.7938 Intermediate Similarity NPC53555
0.7938 Intermediate Similarity NPC162615
0.7935 Intermediate Similarity NPC311070
0.7925 Intermediate Similarity NPC469655
0.7925 Intermediate Similarity NPC474846
0.7925 Intermediate Similarity NPC469656
0.7921 Intermediate Similarity NPC471412
0.7921 Intermediate Similarity NPC198992
0.7921 Intermediate Similarity NPC472554
0.7917 Intermediate Similarity NPC209816
0.7905 Intermediate Similarity NPC322912
0.7905 Intermediate Similarity NPC475030
0.79 Intermediate Similarity NPC474440
0.789 Intermediate Similarity NPC13713
0.7889 Intermediate Similarity NPC110373
0.7889 Intermediate Similarity NPC80471
0.7889 Intermediate Similarity NPC5908
0.7879 Intermediate Similarity NPC202833
0.7879 Intermediate Similarity NPC242848
0.7879 Intermediate Similarity NPC320231
0.7857 Intermediate Similarity NPC474554
0.7857 Intermediate Similarity NPC474555
0.7857 Intermediate Similarity NPC470255
0.7849 Intermediate Similarity NPC102048
0.7843 Intermediate Similarity NPC162973
0.7835 Intermediate Similarity NPC249034
0.7835 Intermediate Similarity NPC124374
0.7835 Intermediate Similarity NPC72845
0.7822 Intermediate Similarity NPC47024
0.7822 Intermediate Similarity NPC477716
0.7822 Intermediate Similarity NPC477721
0.7822 Intermediate Similarity NPC79303
0.7822 Intermediate Similarity NPC251680
0.7822 Intermediate Similarity NPC471413
0.7812 Intermediate Similarity NPC470734
0.781 Intermediate Similarity NPC306265
0.781 Intermediate Similarity NPC50124
0.78 Intermediate Similarity NPC254121
0.78 Intermediate Similarity NPC477719
0.78 Intermediate Similarity NPC473244
0.78 Intermediate Similarity NPC477718
0.78 Intermediate Similarity NPC136781
0.7798 Intermediate Similarity NPC471816
0.7789 Intermediate Similarity NPC473891
0.7789 Intermediate Similarity NPC471779
0.7789 Intermediate Similarity NPC166857
0.7788 Intermediate Similarity NPC471206
0.7788 Intermediate Similarity NPC119855
0.7788 Intermediate Similarity NPC220217
0.7788 Intermediate Similarity NPC85670
0.7788 Intermediate Similarity NPC472818
0.7788 Intermediate Similarity NPC239961
0.7767 Intermediate Similarity NPC472821
0.7767 Intermediate Similarity NPC160583
0.7767 Intermediate Similarity NPC23584
0.7755 Intermediate Similarity NPC99653
0.7745 Intermediate Similarity NPC25177
0.7745 Intermediate Similarity NPC268829
0.7745 Intermediate Similarity NPC475958
0.7745 Intermediate Similarity NPC247701
0.7745 Intermediate Similarity NPC477717
0.7745 Intermediate Similarity NPC295110
0.7745 Intermediate Similarity NPC222875
0.7742 Intermediate Similarity NPC321385
0.7736 Intermediate Similarity NPC257853
0.7732 Intermediate Similarity NPC221111
0.7732 Intermediate Similarity NPC280149
0.7732 Intermediate Similarity NPC220216
0.7732 Intermediate Similarity NPC310479
0.7732 Intermediate Similarity NPC182136
0.7727 Intermediate Similarity NPC290693
0.7723 Intermediate Similarity NPC218107
0.7723 Intermediate Similarity NPC216478
0.7723 Intermediate Similarity NPC473154
0.7723 Intermediate Similarity NPC222303
0.7714 Intermediate Similarity NPC216636
0.7714 Intermediate Similarity NPC472820
0.7714 Intermediate Similarity NPC179380
0.7714 Intermediate Similarity NPC302788
0.7714 Intermediate Similarity NPC319438
0.7708 Intermediate Similarity NPC291665
0.77 Intermediate Similarity NPC260796
0.77 Intermediate Similarity NPC221801
0.77 Intermediate Similarity NPC473153
0.77 Intermediate Similarity NPC162346
0.77 Intermediate Similarity NPC284194
0.77 Intermediate Similarity NPC16967
0.77 Intermediate Similarity NPC17578
0.77 Intermediate Similarity NPC240673
0.77 Intermediate Similarity NPC475304
0.77 Intermediate Similarity NPC211810
0.77 Intermediate Similarity NPC471765
0.77 Intermediate Similarity NPC129569
0.77 Intermediate Similarity NPC93245
0.7692 Intermediate Similarity NPC472819
0.7684 Intermediate Similarity NPC471219
0.7677 Intermediate Similarity NPC182826
0.7677 Intermediate Similarity NPC105375
0.7677 Intermediate Similarity NPC469596
0.7677 Intermediate Similarity NPC191521

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471915 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
0.8252 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7822 Intermediate Similarity NPD7639 Approved
0.7822 Intermediate Similarity NPD7640 Approved
0.7723 Intermediate Similarity NPD7638 Approved
0.7714 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.767 Intermediate Similarity NPD7632 Discontinued
0.7573 Intermediate Similarity NPD5344 Discontinued
0.7549 Intermediate Similarity NPD4225 Approved
0.75 Intermediate Similarity NPD7328 Approved
0.75 Intermediate Similarity NPD7327 Approved
0.7477 Intermediate Similarity NPD6686 Approved
0.7434 Intermediate Similarity NPD7516 Approved
0.7308 Intermediate Similarity NPD6648 Approved
0.7304 Intermediate Similarity NPD8379 Approved
0.7304 Intermediate Similarity NPD8378 Approved
0.7304 Intermediate Similarity NPD8335 Approved
0.7304 Intermediate Similarity NPD8296 Approved
0.7304 Intermediate Similarity NPD8380 Approved
0.7217 Intermediate Similarity NPD8377 Approved
0.7217 Intermediate Similarity NPD8294 Approved
0.7155 Intermediate Similarity NPD8033 Approved
0.7059 Intermediate Similarity NPD7507 Approved
0.7025 Intermediate Similarity NPD7319 Approved
0.6957 Remote Similarity NPD7115 Discovery
0.6939 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6907 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6864 Remote Similarity NPD7503 Approved
0.6796 Remote Similarity NPD7637 Suspended
0.6768 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6699 Remote Similarity NPD7838 Discovery
0.6699 Remote Similarity NPD6698 Approved
0.6699 Remote Similarity NPD46 Approved
0.6667 Remote Similarity NPD6008 Approved
0.6667 Remote Similarity NPD7128 Approved
0.6667 Remote Similarity NPD5739 Approved
0.6667 Remote Similarity NPD6675 Approved
0.6667 Remote Similarity NPD6695 Phase 3
0.6667 Remote Similarity NPD6402 Approved
0.6637 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6609 Remote Similarity NPD6882 Approved
0.6607 Remote Similarity NPD5701 Approved
0.6607 Remote Similarity NPD5697 Approved
0.6574 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6552 Remote Similarity NPD8133 Approved
0.6549 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6549 Remote Similarity NPD6899 Approved
0.6549 Remote Similarity NPD7320 Approved
0.6549 Remote Similarity NPD6881 Approved
0.6535 Remote Similarity NPD1694 Approved
0.6525 Remote Similarity NPD6009 Approved
0.6509 Remote Similarity NPD7748 Approved
0.6491 Remote Similarity NPD6373 Approved
0.6491 Remote Similarity NPD6012 Approved
0.6491 Remote Similarity NPD6372 Approved
0.6491 Remote Similarity NPD6013 Approved
0.6491 Remote Similarity NPD6014 Approved
0.6481 Remote Similarity NPD7902 Approved
0.6476 Remote Similarity NPD7515 Phase 2
0.646 Remote Similarity NPD6412 Phase 2
0.6455 Remote Similarity NPD4159 Approved
0.6435 Remote Similarity NPD7102 Approved
0.6435 Remote Similarity NPD6371 Approved
0.6435 Remote Similarity NPD6883 Approved
0.6435 Remote Similarity NPD7290 Approved
0.6423 Remote Similarity NPD7492 Approved
0.641 Remote Similarity NPD4632 Approved
0.6408 Remote Similarity NPD7750 Discontinued
0.6408 Remote Similarity NPD7524 Approved
0.6404 Remote Similarity NPD6011 Approved
0.6396 Remote Similarity NPD5211 Phase 2
0.6381 Remote Similarity NPD3168 Discontinued
0.6379 Remote Similarity NPD6650 Approved
0.6379 Remote Similarity NPD6649 Approved
0.6379 Remote Similarity NPD6869 Approved
0.6379 Remote Similarity NPD6847 Approved
0.6379 Remote Similarity NPD6617 Approved
0.6379 Remote Similarity NPD8130 Phase 1
0.6371 Remote Similarity NPD6616 Approved
0.6364 Remote Similarity NPD6059 Approved
0.6364 Remote Similarity NPD7525 Registered
0.6364 Remote Similarity NPD6930 Phase 2
0.6364 Remote Similarity NPD6931 Approved
0.6364 Remote Similarity NPD6054 Approved
0.6364 Remote Similarity NPD6319 Approved
0.633 Remote Similarity NPD6083 Phase 2
0.633 Remote Similarity NPD6084 Phase 2
0.633 Remote Similarity NPD4755 Approved
0.6325 Remote Similarity NPD6053 Discontinued
0.6325 Remote Similarity NPD8297 Approved
0.632 Remote Similarity NPD8293 Discontinued
0.632 Remote Similarity NPD7078 Approved
0.6311 Remote Similarity NPD6015 Approved
0.6311 Remote Similarity NPD6016 Approved
0.6311 Remote Similarity NPD3618 Phase 1
0.6286 Remote Similarity NPD6051 Approved
0.6283 Remote Similarity NPD5141 Approved
0.627 Remote Similarity NPD7736 Approved
0.6263 Remote Similarity NPD6929 Approved
0.6262 Remote Similarity NPD4202 Approved
0.6262 Remote Similarity NPD5778 Approved
0.6262 Remote Similarity NPD6399 Phase 3
0.6262 Remote Similarity NPD5779 Approved
0.626 Remote Similarity NPD5988 Approved
0.626 Remote Similarity NPD6370 Approved
0.625 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6239 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6216 Remote Similarity NPD4700 Approved
0.6216 Remote Similarity NPD4696 Approved
0.6216 Remote Similarity NPD5286 Approved
0.6216 Remote Similarity NPD5285 Approved
0.621 Remote Similarity NPD8328 Phase 3
0.621 Remote Similarity NPD7604 Phase 2
0.6204 Remote Similarity NPD7900 Approved
0.6204 Remote Similarity NPD7901 Clinical (unspecified phase)
0.62 Remote Similarity NPD7514 Phase 3
0.62 Remote Similarity NPD7332 Phase 2
0.6179 Remote Similarity NPD5983 Phase 2
0.6168 Remote Similarity NPD8034 Phase 2
0.6168 Remote Similarity NPD8035 Phase 2
0.6168 Remote Similarity NPD7087 Discontinued
0.6167 Remote Similarity NPD6274 Approved
0.6147 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6147 Remote Similarity NPD5695 Phase 3
0.6139 Remote Similarity NPD6902 Approved
0.6132 Remote Similarity NPD5328 Approved
0.6132 Remote Similarity NPD1695 Approved
0.6126 Remote Similarity NPD5696 Approved
0.6106 Remote Similarity NPD5224 Approved
0.6106 Remote Similarity NPD5225 Approved
0.6106 Remote Similarity NPD4633 Approved
0.6106 Remote Similarity NPD5226 Approved
0.6102 Remote Similarity NPD8413 Clinical (unspecified phase)
0.61 Remote Similarity NPD7645 Phase 2
0.6095 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6087 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6061 Remote Similarity NPD5776 Phase 2
0.6061 Remote Similarity NPD6925 Approved
0.6058 Remote Similarity NPD1696 Phase 3
0.6058 Remote Similarity NPD6893 Approved
0.6058 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6053 Remote Similarity NPD5175 Approved
0.6053 Remote Similarity NPD5174 Approved
0.6048 Remote Similarity NPD8516 Approved
0.6048 Remote Similarity NPD8517 Approved
0.6048 Remote Similarity NPD8515 Approved
0.6048 Remote Similarity NPD8513 Phase 3
0.6019 Remote Similarity NPD5693 Phase 1
0.6019 Remote Similarity NPD6079 Approved
0.6018 Remote Similarity NPD5223 Approved
0.6017 Remote Similarity NPD4634 Approved
0.6016 Remote Similarity NPD7100 Approved
0.6016 Remote Similarity NPD7101 Approved
0.6 Remote Similarity NPD5330 Approved
0.6 Remote Similarity NPD4249 Approved
0.6 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6 Remote Similarity NPD6115 Approved
0.6 Remote Similarity NPD7146 Approved
0.6 Remote Similarity NPD6114 Approved
0.6 Remote Similarity NPD7145 Approved
0.6 Remote Similarity NPD6118 Approved
0.6 Remote Similarity NPD6409 Approved
0.6 Remote Similarity NPD6684 Approved
0.6 Remote Similarity NPD7334 Approved
0.6 Remote Similarity NPD7521 Approved
0.6 Remote Similarity NPD6697 Approved
0.5984 Remote Similarity NPD6336 Discontinued
0.5984 Remote Similarity NPD6317 Approved
0.5981 Remote Similarity NPD4753 Phase 2
0.598 Remote Similarity NPD6898 Phase 1
0.5962 Remote Similarity NPD3666 Approved
0.5962 Remote Similarity NPD3133 Approved
0.5962 Remote Similarity NPD3665 Phase 1
0.5952 Remote Similarity NPD6067 Discontinued
0.5948 Remote Similarity NPD4768 Approved
0.5948 Remote Similarity NPD4767 Approved
0.5946 Remote Similarity NPD5222 Approved
0.5946 Remote Similarity NPD4697 Phase 3
0.5946 Remote Similarity NPD5221 Approved
0.5946 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5943 Remote Similarity NPD3573 Approved
0.5943 Remote Similarity NPD4250 Approved
0.5943 Remote Similarity NPD4251 Approved
0.5935 Remote Similarity NPD6335 Approved
0.5935 Remote Similarity NPD6313 Approved
0.5935 Remote Similarity NPD6314 Approved
0.5926 Remote Similarity NPD5785 Approved
0.5922 Remote Similarity NPD3667 Approved
0.592 Remote Similarity NPD6921 Approved
0.592 Remote Similarity NPD6909 Approved
0.592 Remote Similarity NPD6908 Approved
0.5913 Remote Similarity NPD4754 Approved
0.5909 Remote Similarity NPD5282 Discontinued
0.5905 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5905 Remote Similarity NPD1733 Clinical (unspecified phase)
0.59 Remote Similarity NPD6116 Phase 1
0.59 Remote Similarity NPD6932 Approved
0.5897 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5893 Remote Similarity NPD5173 Approved
0.5891 Remote Similarity NPD6033 Approved

Structure

External Identifiers

PubChem CID   90682828
ChEMBL   CHEMBL3297916
ZINC  

Physicochemical Properties

Molecular Weight:  280.13
ALogP:  -0.1841
MLogP:  2.56
XLogP:  0.439
# Rotatable Bonds:  5
Polar Surface Area:  79.29
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  20

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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