Natural Product: NPC270046

Natural Product ID:  NPC270046
Common Name:   Steenkrotin B
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H28O7
Standard InCHIKey:  PMQKRUBIKDXSCN-NOBMYEPTSA-N
Standard InCHI:  InChI=1S/C20H28O7/c1-9-6-12(17(3,4)24)20(25)14-16(23)18(5,26-27-20)8-11-13(21)10(2)7-19(11,14)15(9)22/h8-10,12,14,16,23-25H,6-7H2,1-5H3/t9-,10+,12+,14-,16-,18-,19+,20+/m1/s1
Canonical SMILES:  C[C@@H]1C[C@@H](C(O)(C)C)[C@]2([C@H]3[C@]4(C1=O)C[C@@H](C(=O)C4=C[C@]([C@@H]3O)(OO2)C)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
NPO26587 Croton steenkampianus Species Euphorbiaceae Eukaryota PMID[18855442]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 > 26.3 ug/ml 18316525
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 805 ug/ml 18316525
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 > 26.3 ug/ml Open TG-GATES in vivo data: Organ Weight
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 > 26.3 ug/ml 17846127

  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 NPC270046 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
0.8462 Intermediate Similarity NPC253223
0.8218 Intermediate Similarity NPC471463
0.8131 Intermediate Similarity NPC65941
0.802 Intermediate Similarity NPC196227
0.8 Intermediate Similarity NPC476235
0.8 Intermediate Similarity NPC476126
0.7905 Intermediate Similarity NPC477870
0.7905 Intermediate Similarity NPC476213
0.7905 Intermediate Similarity NPC477871
0.7905 Intermediate Similarity NPC476246
0.787 Intermediate Similarity NPC475060
0.787 Intermediate Similarity NPC83744
0.787 Intermediate Similarity NPC220229
0.785 Intermediate Similarity NPC470104
0.7822 Intermediate Similarity NPC116726
0.78 Intermediate Similarity NPC123912
0.7798 Intermediate Similarity NPC329417
0.7798 Intermediate Similarity NPC217201
0.7778 Intermediate Similarity NPC48733
0.7778 Intermediate Similarity NPC202167
0.7778 Intermediate Similarity NPC49958
0.7778 Intermediate Similarity NPC476027
0.7778 Intermediate Similarity NPC296945
0.7778 Intermediate Similarity NPC149047
0.7778 Intermediate Similarity NPC302607
0.7778 Intermediate Similarity NPC50692
0.7778 Intermediate Similarity NPC85829
0.7778 Intermediate Similarity NPC319077
0.7778 Intermediate Similarity NPC260268
0.7778 Intermediate Similarity NPC171137
0.7778 Intermediate Similarity NPC152695
0.7778 Intermediate Similarity NPC214264
0.7778 Intermediate Similarity NPC150531
0.7778 Intermediate Similarity NPC97202
0.7778 Intermediate Similarity NPC323834
0.7736 Intermediate Similarity NPC476134
0.7736 Intermediate Similarity NPC101067
0.7727 Intermediate Similarity NPC11710
0.7723 Intermediate Similarity NPC128672
0.7706 Intermediate Similarity NPC185
0.7706 Intermediate Similarity NPC477916
0.7685 Intermediate Similarity NPC204833
0.7685 Intermediate Similarity NPC209502
0.7679 Intermediate Similarity NPC205534
0.7679 Intermediate Similarity NPC472002
0.767 Intermediate Similarity NPC472976
0.767 Intermediate Similarity NPC472977
0.7664 Intermediate Similarity NPC293753
0.7664 Intermediate Similarity NPC234892
0.7664 Intermediate Similarity NPC473424
0.7658 Intermediate Similarity NPC206595
0.7658 Intermediate Similarity NPC286880
0.7642 Intermediate Similarity NPC287833
0.7642 Intermediate Similarity NPC198880
0.7642 Intermediate Similarity NPC51370
0.7642 Intermediate Similarity NPC476274
0.7636 Intermediate Similarity NPC295244
0.7619 Intermediate Similarity NPC124246
0.7615 Intermediate Similarity NPC51452
0.7611 Intermediate Similarity NPC108721
0.7611 Intermediate Similarity NPC73300
0.7607 Intermediate Similarity NPC472000
0.7607 Intermediate Similarity NPC472001
0.7607 Intermediate Similarity NPC471999
0.7596 Intermediate Similarity NPC200702
0.7596 Intermediate Similarity NPC297199
0.7593 Intermediate Similarity NPC251017
0.7593 Intermediate Similarity NPC55872
0.7589 Intermediate Similarity NPC472928
0.7589 Intermediate Similarity NPC471243
0.7586 Intermediate Similarity NPC268958
0.757 Intermediate Similarity NPC476223
0.757 Intermediate Similarity NPC224720
0.757 Intermediate Similarity NPC476240
0.757 Intermediate Similarity NPC81530
0.7568 Intermediate Similarity NPC163004
0.7568 Intermediate Similarity NPC214644
0.7565 Intermediate Similarity NPC472934
0.7549 Intermediate Similarity NPC134321
0.7549 Intermediate Similarity NPC230332
0.7547 Intermediate Similarity NPC222011
0.7547 Intermediate Similarity NPC16021
0.7547 Intermediate Similarity NPC114274
0.7545 Intermediate Similarity NPC165873
0.7545 Intermediate Similarity NPC58370
0.7545 Intermediate Similarity NPC43285
0.7545 Intermediate Similarity NPC473037
0.7526 Intermediate Similarity NPC136150
0.7524 Intermediate Similarity NPC243525
0.7524 Intermediate Similarity NPC40765
0.7524 Intermediate Similarity NPC117133
0.7524 Intermediate Similarity NPC8803
0.7523 Intermediate Similarity NPC28656
0.7522 Intermediate Similarity NPC152117
0.7522 Intermediate Similarity NPC234042
0.7522 Intermediate Similarity NPC207251
0.75 Intermediate Similarity NPC87351
0.75 Intermediate Similarity NPC195290
0.75 Intermediate Similarity NPC5103
0.75 Intermediate Similarity NPC136289
0.75 Intermediate Similarity NPC470958
0.75 Intermediate Similarity NPC470957
0.75 Intermediate Similarity NPC204450
0.75 Intermediate Similarity NPC272898
0.75 Intermediate Similarity NPC473036
0.75 Intermediate Similarity NPC477915
0.75 Intermediate Similarity NPC478089
0.75 Intermediate Similarity NPC103527
0.7477 Intermediate Similarity NPC154072
0.7477 Intermediate Similarity NPC299971
0.7477 Intermediate Similarity NPC316964
0.7477 Intermediate Similarity NPC144660
0.7477 Intermediate Similarity NPC474720
0.7476 Intermediate Similarity NPC475441
0.7476 Intermediate Similarity NPC472978
0.7475 Intermediate Similarity NPC230527
0.7475 Intermediate Similarity NPC7927
0.7458 Intermediate Similarity NPC470921
0.7456 Intermediate Similarity NPC962
0.7456 Intermediate Similarity NPC255017
0.7456 Intermediate Similarity NPC194273
0.7456 Intermediate Similarity NPC317210
0.7456 Intermediate Similarity NPC194100
0.7456 Intermediate Similarity NPC250109
0.7455 Intermediate Similarity NPC60681
0.7455 Intermediate Similarity NPC102352
0.7453 Intermediate Similarity NPC106557
0.7453 Intermediate Similarity NPC69385
0.7453 Intermediate Similarity NPC226986
0.7453 Intermediate Similarity NPC122294
0.7451 Intermediate Similarity NPC473100
0.7451 Intermediate Similarity NPC186688
0.7449 Intermediate Similarity NPC279186
0.7436 Intermediate Similarity NPC472933
0.7434 Intermediate Similarity NPC188738
0.7431 Intermediate Similarity NPC111323
0.7431 Intermediate Similarity NPC191892
0.7431 Intermediate Similarity NPC249187
0.7431 Intermediate Similarity NPC475321
0.7431 Intermediate Similarity NPC247957
0.7431 Intermediate Similarity NPC236390
0.7431 Intermediate Similarity NPC311612
0.7431 Intermediate Similarity NPC239716
0.7429 Intermediate Similarity NPC473170
0.7429 Intermediate Similarity NPC472824
0.7429 Intermediate Similarity NPC255809
0.7429 Intermediate Similarity NPC241156
0.7429 Intermediate Similarity NPC271195
0.7429 Intermediate Similarity NPC472932
0.7429 Intermediate Similarity NPC37646
0.7426 Intermediate Similarity NPC99909
0.7414 Intermediate Similarity NPC218970
0.7411 Intermediate Similarity NPC470257
0.7411 Intermediate Similarity NPC153239
0.7411 Intermediate Similarity NPC41405
0.7407 Intermediate Similarity NPC115862
0.7407 Intermediate Similarity NPC470184
0.7407 Intermediate Similarity NPC472924
0.7404 Intermediate Similarity NPC472930
0.7404 Intermediate Similarity NPC474736
0.7404 Intermediate Similarity NPC109305
0.7404 Intermediate Similarity NPC109414
0.74 Intermediate Similarity NPC36350
0.7391 Intermediate Similarity NPC472400
0.7391 Intermediate Similarity NPC326542
0.7391 Intermediate Similarity NPC243354
0.7391 Intermediate Similarity NPC238667
0.7387 Intermediate Similarity NPC64844
0.7387 Intermediate Similarity NPC144459
0.7387 Intermediate Similarity NPC230541
0.7387 Intermediate Similarity NPC472925
0.7387 Intermediate Similarity NPC59530
0.7387 Intermediate Similarity NPC42847
0.7383 Intermediate Similarity NPC197386
0.7383 Intermediate Similarity NPC23364
0.7383 Intermediate Similarity NPC10364
0.7379 Intermediate Similarity NPC289213
0.7379 Intermediate Similarity NPC473099
0.7374 Intermediate Similarity NPC105173
0.7373 Intermediate Similarity NPC476961
0.7373 Intermediate Similarity NPC109973
0.7368 Intermediate Similarity NPC269530
0.7368 Intermediate Similarity NPC236217
0.7368 Intermediate Similarity NPC126691
0.7364 Intermediate Similarity NPC75531
0.7364 Intermediate Similarity NPC149124
0.7364 Intermediate Similarity NPC203659
0.7364 Intermediate Similarity NPC72255
0.7364 Intermediate Similarity NPC146731
0.7364 Intermediate Similarity NPC255309
0.7364 Intermediate Similarity NPC296950
0.7358 Intermediate Similarity NPC249954
0.7358 Intermediate Similarity NPC140242
0.7358 Intermediate Similarity NPC125622
0.7358 Intermediate Similarity NPC473164
0.7358 Intermediate Similarity NPC472941
0.7358 Intermediate Similarity NPC3772
0.7358 Intermediate Similarity NPC456
0.7353 Intermediate Similarity NPC474854
0.7353 Intermediate Similarity NPC470417

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC270046 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
0.7345 Intermediate Similarity NPD4634 Approved
0.7339 Intermediate Similarity NPD5211 Phase 2
0.7315 Intermediate Similarity NPD5286 Approved
0.7315 Intermediate Similarity NPD4696 Approved
0.7315 Intermediate Similarity NPD5285 Approved
0.729 Intermediate Similarity NPD4755 Approved
0.7264 Intermediate Similarity NPD5210 Approved
0.7264 Intermediate Similarity NPD4629 Approved
0.7207 Intermediate Similarity NPD5141 Approved
0.7196 Intermediate Similarity NPD4697 Phase 3
0.7182 Intermediate Similarity NPD5226 Approved
0.7182 Intermediate Similarity NPD4633 Approved
0.7182 Intermediate Similarity NPD5225 Approved
0.7182 Intermediate Similarity NPD5224 Approved
0.7156 Intermediate Similarity NPD4700 Approved
0.7155 Intermediate Similarity NPD4632 Approved
0.7143 Intermediate Similarity NPD6079 Approved
0.713 Intermediate Similarity NPD6649 Approved
0.713 Intermediate Similarity NPD6650 Approved
0.7117 Intermediate Similarity NPD5174 Approved
0.7117 Intermediate Similarity NPD5175 Approved
0.7115 Intermediate Similarity NPD5328 Approved
0.7105 Intermediate Similarity NPD6372 Approved
0.7105 Intermediate Similarity NPD6373 Approved
0.7091 Intermediate Similarity NPD5223 Approved
0.708 Intermediate Similarity NPD5697 Approved
0.7075 Intermediate Similarity NPD6399 Phase 3
0.7043 Intermediate Similarity NPD6371 Approved
0.7037 Intermediate Similarity NPD5221 Approved
0.7037 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD5222 Approved
0.7018 Intermediate Similarity NPD6899 Approved
0.7018 Intermediate Similarity NPD6881 Approved
0.6991 Remote Similarity NPD7128 Approved
0.6991 Remote Similarity NPD6675 Approved
0.6991 Remote Similarity NPD6402 Approved
0.6991 Remote Similarity NPD5739 Approved
0.699 Remote Similarity NPD3618 Phase 1
0.6975 Remote Similarity NPD7115 Discovery
0.6972 Remote Similarity NPD5173 Approved
0.6961 Remote Similarity NPD4786 Approved
0.6957 Remote Similarity NPD6013 Approved
0.6957 Remote Similarity NPD6012 Approved
0.6957 Remote Similarity NPD6014 Approved
0.6952 Remote Similarity NPD4753 Phase 2
0.6944 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6942 Remote Similarity NPD6319 Approved
0.6931 Remote Similarity NPD3667 Approved
0.693 Remote Similarity NPD5701 Approved
0.693 Remote Similarity NPD6412 Phase 2
0.6923 Remote Similarity NPD6053 Discontinued
0.6923 Remote Similarity NPD8297 Approved
0.6916 Remote Similarity NPD4202 Approved
0.6909 Remote Similarity NPD5696 Approved
0.6897 Remote Similarity NPD6883 Approved
0.6897 Remote Similarity NPD7102 Approved
0.6897 Remote Similarity NPD7290 Approved
0.687 Remote Similarity NPD5128 Approved
0.687 Remote Similarity NPD4730 Approved
0.687 Remote Similarity NPD6686 Approved
0.687 Remote Similarity NPD4729 Approved
0.687 Remote Similarity NPD7320 Approved
0.687 Remote Similarity NPD6011 Approved
0.6842 Remote Similarity NPD4768 Approved
0.6842 Remote Similarity NPD6008 Approved
0.6842 Remote Similarity NPD4767 Approved
0.6838 Remote Similarity NPD6869 Approved
0.6838 Remote Similarity NPD8130 Phase 1
0.6838 Remote Similarity NPD6847 Approved
0.6838 Remote Similarity NPD6617 Approved
0.6833 Remote Similarity NPD6009 Approved
0.6827 Remote Similarity NPD5279 Phase 3
0.6814 Remote Similarity NPD4754 Approved
0.6803 Remote Similarity NPD6054 Approved
0.6796 Remote Similarity NPD3665 Phase 1
0.6796 Remote Similarity NPD3133 Approved
0.6796 Remote Similarity NPD3666 Approved
0.678 Remote Similarity NPD6882 Approved
0.6757 Remote Similarity NPD4225 Approved
0.6752 Remote Similarity NPD5249 Phase 3
0.6752 Remote Similarity NPD5250 Approved
0.6752 Remote Similarity NPD5251 Approved
0.6752 Remote Similarity NPD5247 Approved
0.6752 Remote Similarity NPD5248 Approved
0.6748 Remote Similarity NPD6016 Approved
0.6748 Remote Similarity NPD6015 Approved
0.6697 Remote Similarity NPD5282 Discontinued
0.6695 Remote Similarity NPD5217 Approved
0.6695 Remote Similarity NPD5216 Approved
0.6695 Remote Similarity NPD5215 Approved
0.6694 Remote Similarity NPD6370 Approved
0.6694 Remote Similarity NPD5988 Approved
0.6667 Remote Similarity NPD6083 Phase 2
0.6667 Remote Similarity NPD6084 Phase 2
0.6667 Remote Similarity NPD5281 Approved
0.6667 Remote Similarity NPD6059 Approved
0.6667 Remote Similarity NPD7507 Approved
0.6667 Remote Similarity NPD5284 Approved
0.6667 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6636 Remote Similarity NPD5695 Phase 3
0.6613 Remote Similarity NPD5983 Phase 2
0.6612 Remote Similarity NPD6274 Approved
0.661 Remote Similarity NPD5169 Approved
0.661 Remote Similarity NPD5135 Approved
0.661 Remote Similarity NPD5134 Clinical (unspecified phase)
0.661 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6606 Remote Similarity NPD5778 Approved
0.6606 Remote Similarity NPD5779 Approved
0.6602 Remote Similarity NPD4223 Phase 3
0.6602 Remote Similarity NPD4221 Approved
0.6587 Remote Similarity NPD7492 Approved
0.6574 Remote Similarity NPD46 Approved
0.6574 Remote Similarity NPD6698 Approved
0.6571 Remote Similarity NPD1696 Phase 3
0.6569 Remote Similarity NPD4695 Discontinued
0.6555 Remote Similarity NPD5127 Approved
0.6555 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6538 Remote Similarity NPD7260 Phase 2
0.6535 Remote Similarity NPD6616 Approved
0.6518 Remote Similarity NPD7902 Approved
0.6514 Remote Similarity NPD6411 Approved
0.6514 Remote Similarity NPD7515 Phase 2
0.6512 Remote Similarity NPD7319 Approved
0.6509 Remote Similarity NPD5690 Phase 2
0.6508 Remote Similarity NPD7604 Phase 2
0.6496 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6484 Remote Similarity NPD7078 Approved
0.6476 Remote Similarity NPD3668 Phase 3
0.6476 Remote Similarity NPD4197 Approved
0.646 Remote Similarity NPD7638 Approved
0.6452 Remote Similarity NPD4522 Approved
0.6452 Remote Similarity NPD7101 Approved
0.6452 Remote Similarity NPD7100 Approved
0.6442 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6441 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6441 Remote Similarity NPD5168 Approved
0.6434 Remote Similarity NPD7736 Approved
0.6423 Remote Similarity NPD6317 Approved
0.6422 Remote Similarity NPD5785 Approved
0.6415 Remote Similarity NPD5363 Approved
0.6415 Remote Similarity NPD5329 Approved
0.6406 Remote Similarity NPD6336 Discontinued
0.6404 Remote Similarity NPD7640 Approved
0.6404 Remote Similarity NPD7639 Approved
0.6393 Remote Similarity NPD5167 Approved
0.6387 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6378 Remote Similarity NPD8328 Phase 3
0.6373 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6371 Remote Similarity NPD6335 Approved
0.6371 Remote Similarity NPD6313 Approved
0.6371 Remote Similarity NPD6314 Approved
0.6364 Remote Similarity NPD6845 Suspended
0.6357 Remote Similarity NPD8293 Discontinued
0.6356 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6355 Remote Similarity NPD4623 Approved
0.6355 Remote Similarity NPD4689 Approved
0.6355 Remote Similarity NPD4693 Phase 3
0.6355 Remote Similarity NPD4688 Approved
0.6355 Remote Similarity NPD5280 Approved
0.6355 Remote Similarity NPD4690 Approved
0.6355 Remote Similarity NPD5205 Approved
0.6355 Remote Similarity NPD4138 Approved
0.6355 Remote Similarity NPD4694 Approved
0.6355 Remote Similarity NPD5786 Approved
0.6355 Remote Similarity NPD4519 Discontinued
0.6349 Remote Similarity NPD6291 Clinical (unspecified phase)
0.633 Remote Similarity NPD5764 Clinical (unspecified phase)
0.633 Remote Similarity NPD6101 Approved
0.6321 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6296 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6296 Remote Similarity NPD3573 Approved
0.6296 Remote Similarity NPD7524 Approved
0.6293 Remote Similarity NPD5091 Approved
0.6286 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6262 Remote Similarity NPD1694 Approved
0.625 Remote Similarity NPD7748 Approved
0.625 Remote Similarity NPD6931 Approved
0.625 Remote Similarity NPD7901 Clinical (unspecified phase)
0.625 Remote Similarity NPD7900 Approved
0.625 Remote Similarity NPD5368 Approved
0.625 Remote Similarity NPD6930 Phase 2
0.6239 Remote Similarity NPD4518 Approved
0.6239 Remote Similarity NPD6672 Approved
0.6239 Remote Similarity NPD5737 Approved
0.6226 Remote Similarity NPD6695 Phase 3
0.6226 Remote Similarity NPD4788 Approved
0.622 Remote Similarity NPD6909 Approved
0.622 Remote Similarity NPD6908 Approved
0.6216 Remote Similarity NPD7983 Approved
0.6216 Remote Similarity NPD7637 Suspended
0.6214 Remote Similarity NPD3617 Approved
0.621 Remote Similarity NPD6868 Approved
0.6204 Remote Similarity NPD5330 Approved
0.6204 Remote Similarity NPD6409 Approved
0.6204 Remote Similarity NPD7521 Approved
0.6204 Remote Similarity NPD7146 Approved
0.6204 Remote Similarity NPD7334 Approved
0.6204 Remote Similarity NPD6684 Approved
0.6183 Remote Similarity NPD6033 Approved

Structure

External Identifiers

PubChem CID   25156986
ChEMBL   CHEMBL576743
ZINC  

Physicochemical Properties

Molecular Weight:  380.18
ALogP:  -0.0938
MLogP:  2.89
XLogP:  0.303
# Rotatable Bonds:  9
Polar Surface Area:  113.29
# H-Bond Aceptor:  7
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  27

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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