Natural Product: NPC253223

Natural Product ID:  NPC253223
Common Name:   Steenkrotin A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H26O4
Standard InCHIKey:  XKHKWWYWWNXZDZ-NOBMYEPTSA-N
Standard InCHI:  InChI=1S/C20H26O4/c1-9-6-12-17(3,4)20(12)14-16(23)18(5,24-20)8-11-13(21)10(2)7-19(11,14)15(9)22/h8-10,12,14,16,23H,6-7H2,1-5H3/t9-,10+,12+,14-,16-,18-,19+,20+/m1/s1
Canonical SMILES:  C[C@H]1C[C@@]23C(=C[C@@]4([C@@H]([C@H]3[C@@]3(O4)[C@@H](C[C@H](C2=O)C)C3(C)C)O)C)C1=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
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 107 ug/ml 22834923
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 > 30 ug/ml 10.6019/CHEMBL1201861
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 15.8 ug/ml 10.6019/CHEMBL1201861
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 9.4 ug/ml 19223615
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 9.1 ug/ml 19908853

  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 NPC253223 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 NPC270046
0.7885 Intermediate Similarity NPC471463
0.7843 Intermediate Similarity NPC475441
0.7778 Intermediate Similarity NPC475321
0.7778 Intermediate Similarity NPC473624
0.7757 Intermediate Similarity NPC476134
0.7757 Intermediate Similarity NPC101067
0.7736 Intermediate Similarity NPC222011
0.7706 Intermediate Similarity NPC203659
0.7679 Intermediate Similarity NPC37116
0.7642 Intermediate Similarity NPC474343
0.7642 Intermediate Similarity NPC69385
0.7636 Intermediate Similarity NPC243998
0.7636 Intermediate Similarity NPC60681
0.7619 Intermediate Similarity NPC316215
0.7615 Intermediate Similarity NPC475873
0.7615 Intermediate Similarity NPC110989
0.7583 Intermediate Similarity NPC8369
0.757 Intermediate Similarity NPC141191
0.7568 Intermediate Similarity NPC144459
0.7565 Intermediate Similarity NPC474181
0.7547 Intermediate Similarity NPC8803
0.7544 Intermediate Similarity NPC207251
0.7524 Intermediate Similarity NPC318332
0.7523 Intermediate Similarity NPC225353
0.7522 Intermediate Similarity NPC286880
0.7522 Intermediate Similarity NPC5103
0.7522 Intermediate Similarity NPC473627
0.7521 Intermediate Similarity NPC146280
0.7521 Intermediate Similarity NPC124676
0.75 Intermediate Similarity NPC112167
0.75 Intermediate Similarity NPC475972
0.75 Intermediate Similarity NPC177064
0.75 Intermediate Similarity NPC471127
0.75 Intermediate Similarity NPC234858
0.75 Intermediate Similarity NPC154363
0.7479 Intermediate Similarity NPC472001
0.7479 Intermediate Similarity NPC471999
0.7479 Intermediate Similarity NPC472000
0.7477 Intermediate Similarity NPC54737
0.7477 Intermediate Similarity NPC169205
0.7477 Intermediate Similarity NPC474977
0.7477 Intermediate Similarity NPC239895
0.7477 Intermediate Similarity NPC223450
0.7476 Intermediate Similarity NPC123912
0.7455 Intermediate Similarity NPC475945
0.7455 Intermediate Similarity NPC475871
0.7455 Intermediate Similarity NPC476237
0.7453 Intermediate Similarity NPC90121
0.7453 Intermediate Similarity NPC183012
0.7453 Intermediate Similarity NPC48803
0.7453 Intermediate Similarity NPC275960
0.7453 Intermediate Similarity NPC193645
0.7436 Intermediate Similarity NPC286528
0.7436 Intermediate Similarity NPC20302
0.7436 Intermediate Similarity NPC475323
0.7436 Intermediate Similarity NPC10721
0.7436 Intermediate Similarity NPC140055
0.7436 Intermediate Similarity NPC284068
0.7436 Intermediate Similarity NPC167606
0.7436 Intermediate Similarity NPC473656
0.7434 Intermediate Similarity NPC153239
0.7434 Intermediate Similarity NPC47951
0.7431 Intermediate Similarity NPC46998
0.7431 Intermediate Similarity NPC110443
0.7431 Intermediate Similarity NPC477950
0.7431 Intermediate Similarity NPC133907
0.7431 Intermediate Similarity NPC474742
0.7431 Intermediate Similarity NPC476270
0.7431 Intermediate Similarity NPC185141
0.7431 Intermediate Similarity NPC128733
0.7414 Intermediate Similarity NPC326542
0.7414 Intermediate Similarity NPC472400
0.7414 Intermediate Similarity NPC238667
0.7411 Intermediate Similarity NPC185
0.7411 Intermediate Similarity NPC473037
0.7411 Intermediate Similarity NPC204884
0.7407 Intermediate Similarity NPC23364
0.7407 Intermediate Similarity NPC153776
0.7407 Intermediate Similarity NPC472730
0.7407 Intermediate Similarity NPC472729
0.7407 Intermediate Similarity NPC177680
0.7407 Intermediate Similarity NPC222303
0.7395 Intermediate Similarity NPC143755
0.7395 Intermediate Similarity NPC475885
0.7391 Intermediate Similarity NPC472002
0.7391 Intermediate Similarity NPC269530
0.7387 Intermediate Similarity NPC296950
0.7387 Intermediate Similarity NPC294259
0.7387 Intermediate Similarity NPC146731
0.7387 Intermediate Similarity NPC474741
0.7387 Intermediate Similarity NPC255309
0.7383 Intermediate Similarity NPC476797
0.7383 Intermediate Similarity NPC185553
0.7374 Intermediate Similarity NPC136150
0.7373 Intermediate Similarity NPC257457
0.7373 Intermediate Similarity NPC50774
0.7373 Intermediate Similarity NPC311554
0.7373 Intermediate Similarity NPC709
0.7368 Intermediate Similarity NPC206595
0.7368 Intermediate Similarity NPC5284
0.7368 Intermediate Similarity NPC257240
0.7368 Intermediate Similarity NPC477103
0.7364 Intermediate Similarity NPC473424
0.7364 Intermediate Similarity NPC476235
0.7364 Intermediate Similarity NPC476126
0.7364 Intermediate Similarity NPC185530
0.7364 Intermediate Similarity NPC474747
0.7364 Intermediate Similarity NPC86077
0.7358 Intermediate Similarity NPC477241
0.7358 Intermediate Similarity NPC114162
0.7358 Intermediate Similarity NPC167219
0.7358 Intermediate Similarity NPC469819
0.7358 Intermediate Similarity NPC472976
0.7358 Intermediate Similarity NPC472977
0.7355 Intermediate Similarity NPC11895
0.7355 Intermediate Similarity NPC469789
0.735 Intermediate Similarity NPC270929
0.735 Intermediate Similarity NPC54739
0.7345 Intermediate Similarity NPC19412
0.7345 Intermediate Similarity NPC65941
0.7345 Intermediate Similarity NPC10150
0.7339 Intermediate Similarity NPC472727
0.7339 Intermediate Similarity NPC476303
0.7339 Intermediate Similarity NPC472728
0.7339 Intermediate Similarity NPC476274
0.7333 Intermediate Similarity NPC472975
0.7333 Intermediate Similarity NPC310511
0.7328 Intermediate Similarity NPC317210
0.7328 Intermediate Similarity NPC472757
0.7328 Intermediate Similarity NPC469463
0.7328 Intermediate Similarity NPC469496
0.7328 Intermediate Similarity NPC469454
0.7327 Intermediate Similarity NPC230527
0.7327 Intermediate Similarity NPC7927
0.7321 Intermediate Similarity NPC96377
0.7321 Intermediate Similarity NPC471333
0.7321 Intermediate Similarity NPC471332
0.7321 Intermediate Similarity NPC477125
0.7315 Intermediate Similarity NPC213947
0.7315 Intermediate Similarity NPC108475
0.7315 Intermediate Similarity NPC170143
0.7311 Intermediate Similarity NPC156745
0.7311 Intermediate Similarity NPC42673
0.7311 Intermediate Similarity NPC236918
0.7311 Intermediate Similarity NPC264954
0.7311 Intermediate Similarity NPC473274
0.7308 Intermediate Similarity NPC168131
0.7304 Intermediate Similarity NPC179798
0.7304 Intermediate Similarity NPC474846
0.7304 Intermediate Similarity NPC469655
0.7304 Intermediate Similarity NPC304180
0.7304 Intermediate Similarity NPC469656
0.7297 Intermediate Similarity NPC123505
0.7297 Intermediate Similarity NPC26478
0.7297 Intermediate Similarity NPC474165
0.7297 Intermediate Similarity NPC69171
0.7297 Intermediate Similarity NPC176883
0.7297 Intermediate Similarity NPC239716
0.7297 Intermediate Similarity NPC474775
0.7297 Intermediate Similarity NPC168575
0.729 Intermediate Similarity NPC270013
0.729 Intermediate Similarity NPC14961
0.7288 Intermediate Similarity NPC476965
0.7288 Intermediate Similarity NPC156252
0.7288 Intermediate Similarity NPC470959
0.7288 Intermediate Similarity NPC183580
0.7288 Intermediate Similarity NPC312824
0.7288 Intermediate Similarity NPC470493
0.7288 Intermediate Similarity NPC472934
0.7288 Intermediate Similarity NPC470492
0.7288 Intermediate Similarity NPC474518
0.7281 Intermediate Similarity NPC59489
0.7281 Intermediate Similarity NPC77089
0.7281 Intermediate Similarity NPC477102
0.7281 Intermediate Similarity NPC187876
0.7281 Intermediate Similarity NPC163004
0.7281 Intermediate Similarity NPC214644
0.7281 Intermediate Similarity NPC139838
0.7281 Intermediate Similarity NPC273433
0.7273 Intermediate Similarity NPC476240
0.7273 Intermediate Similarity NPC170538
0.7273 Intermediate Similarity NPC181645
0.7273 Intermediate Similarity NPC476213
0.7273 Intermediate Similarity NPC257017
0.7273 Intermediate Similarity NPC162009
0.7273 Intermediate Similarity NPC81530
0.7273 Intermediate Similarity NPC171759
0.7273 Intermediate Similarity NPC224720
0.7273 Intermediate Similarity NPC476223
0.7273 Intermediate Similarity NPC477871
0.7273 Intermediate Similarity NPC304738
0.7273 Intermediate Similarity NPC195192
0.7273 Intermediate Similarity NPC237190
0.7273 Intermediate Similarity NPC476897
0.7273 Intermediate Similarity NPC476246
0.7273 Intermediate Similarity NPC477870
0.7273 Intermediate Similarity NPC472637
0.7265 Intermediate Similarity NPC284915
0.7265 Intermediate Similarity NPC67259

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC253223 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
0.7453 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD7115 Discovery
0.7368 Intermediate Similarity NPD6371 Approved
0.7248 Intermediate Similarity NPD4225 Approved
0.6972 Remote Similarity NPD4629 Approved
0.6972 Remote Similarity NPD5210 Approved
0.6909 Remote Similarity NPD4697 Phase 3
0.6903 Remote Similarity NPD5211 Phase 2
0.6875 Remote Similarity NPD5286 Approved
0.6875 Remote Similarity NPD5285 Approved
0.6875 Remote Similarity NPD4696 Approved
0.6864 Remote Similarity NPD6649 Approved
0.6864 Remote Similarity NPD6650 Approved
0.6852 Remote Similarity NPD6079 Approved
0.6847 Remote Similarity NPD4755 Approved
0.6838 Remote Similarity NPD6373 Approved
0.6838 Remote Similarity NPD6372 Approved
0.6822 Remote Similarity NPD5328 Approved
0.681 Remote Similarity NPD5697 Approved
0.681 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6807 Remote Similarity NPD8297 Approved
0.6807 Remote Similarity NPD6053 Discontinued
0.6789 Remote Similarity NPD6399 Phase 3
0.6786 Remote Similarity NPD5696 Approved
0.6783 Remote Similarity NPD5141 Approved
0.6762 Remote Similarity NPD1696 Phase 3
0.6757 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6757 Remote Similarity NPD5221 Approved
0.6757 Remote Similarity NPD5222 Approved
0.6754 Remote Similarity NPD5224 Approved
0.6754 Remote Similarity NPD5225 Approved
0.6754 Remote Similarity NPD5226 Approved
0.6754 Remote Similarity NPD4633 Approved
0.6752 Remote Similarity NPD6881 Approved
0.6752 Remote Similarity NPD6899 Approved
0.6752 Remote Similarity NPD7320 Approved
0.6726 Remote Similarity NPD4700 Approved
0.6724 Remote Similarity NPD6402 Approved
0.6724 Remote Similarity NPD6008 Approved
0.6724 Remote Similarity NPD7128 Approved
0.6724 Remote Similarity NPD5739 Approved
0.6724 Remote Similarity NPD6675 Approved
0.6698 Remote Similarity NPD3618 Phase 1
0.6696 Remote Similarity NPD5173 Approved
0.6696 Remote Similarity NPD5175 Approved
0.6696 Remote Similarity NPD5174 Approved
0.6695 Remote Similarity NPD6013 Approved
0.6695 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6695 Remote Similarity NPD6014 Approved
0.6695 Remote Similarity NPD6012 Approved
0.6694 Remote Similarity NPD6054 Approved
0.6667 Remote Similarity NPD4753 Phase 2
0.6667 Remote Similarity NPD5223 Approved
0.6667 Remote Similarity NPD4786 Approved
0.6667 Remote Similarity NPD5701 Approved
0.664 Remote Similarity NPD6015 Approved
0.664 Remote Similarity NPD6016 Approved
0.6639 Remote Similarity NPD7102 Approved
0.6639 Remote Similarity NPD4634 Approved
0.6639 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6639 Remote Similarity NPD7290 Approved
0.6639 Remote Similarity NPD6883 Approved
0.6635 Remote Similarity NPD3667 Approved
0.6612 Remote Similarity NPD4632 Approved
0.661 Remote Similarity NPD6686 Approved
0.661 Remote Similarity NPD6011 Approved
0.6606 Remote Similarity NPD46 Approved
0.6606 Remote Similarity NPD6698 Approved
0.6606 Remote Similarity NPD5785 Approved
0.6604 Remote Similarity NPD1694 Approved
0.6587 Remote Similarity NPD6370 Approved
0.6587 Remote Similarity NPD5988 Approved
0.6583 Remote Similarity NPD6847 Approved
0.6583 Remote Similarity NPD6869 Approved
0.6583 Remote Similarity NPD8130 Phase 1
0.6583 Remote Similarity NPD6617 Approved
0.6577 Remote Similarity NPD5282 Discontinued
0.6562 Remote Similarity NPD7507 Approved
0.656 Remote Similarity NPD6059 Approved
0.656 Remote Similarity NPD6319 Approved
0.6549 Remote Similarity NPD6083 Phase 2
0.6549 Remote Similarity NPD6084 Phase 2
0.6542 Remote Similarity NPD5279 Phase 3
0.6529 Remote Similarity NPD6882 Approved
0.6518 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6518 Remote Similarity NPD5695 Phase 3
0.6514 Remote Similarity NPD1695 Approved
0.6509 Remote Similarity NPD3666 Approved
0.6509 Remote Similarity NPD3133 Approved
0.6509 Remote Similarity NPD3665 Phase 1
0.6486 Remote Similarity NPD4202 Approved
0.6484 Remote Similarity NPD7492 Approved
0.6476 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6471 Remote Similarity NPD5128 Approved
0.6471 Remote Similarity NPD4730 Approved
0.6471 Remote Similarity NPD4729 Approved
0.6449 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6441 Remote Similarity NPD4767 Approved
0.6441 Remote Similarity NPD4768 Approved
0.6434 Remote Similarity NPD6616 Approved
0.6412 Remote Similarity NPD7319 Approved
0.641 Remote Similarity NPD4754 Approved
0.6406 Remote Similarity NPD7604 Phase 2
0.6391 Remote Similarity NPD6845 Suspended
0.6389 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6387 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6387 Remote Similarity NPD6412 Phase 2
0.6385 Remote Similarity NPD7078 Approved
0.6378 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6371 Remote Similarity NPD6274 Approved
0.6364 Remote Similarity NPD5249 Phase 3
0.6364 Remote Similarity NPD5248 Approved
0.6364 Remote Similarity NPD5251 Approved
0.6364 Remote Similarity NPD5250 Approved
0.6364 Remote Similarity NPD5247 Approved
0.6348 Remote Similarity NPD7638 Approved
0.6336 Remote Similarity NPD7736 Approved
0.6321 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6321 Remote Similarity NPD4221 Approved
0.6321 Remote Similarity NPD4223 Phase 3
0.632 Remote Similarity NPD6009 Approved
0.6316 Remote Similarity NPD7260 Phase 2
0.6311 Remote Similarity NPD5216 Approved
0.6311 Remote Similarity NPD5217 Approved
0.6311 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6311 Remote Similarity NPD5215 Approved
0.6293 Remote Similarity NPD7639 Approved
0.6293 Remote Similarity NPD7640 Approved
0.6286 Remote Similarity NPD4695 Discontinued
0.6283 Remote Similarity NPD6001 Approved
0.6261 Remote Similarity NPD7902 Approved
0.626 Remote Similarity NPD8293 Discontinued
0.625 Remote Similarity NPD5693 Phase 1
0.625 Remote Similarity NPD6411 Approved
0.625 Remote Similarity NPD5983 Phase 2
0.6239 Remote Similarity NPD5690 Phase 2
0.6239 Remote Similarity NPD5344 Discontinued
0.6239 Remote Similarity NPD5786 Approved
0.623 Remote Similarity NPD5169 Approved
0.623 Remote Similarity NPD5135 Approved
0.623 Remote Similarity NPD5134 Clinical (unspecified phase)
0.622 Remote Similarity NPD7101 Approved
0.622 Remote Similarity NPD7100 Approved
0.6204 Remote Similarity NPD3668 Phase 3
0.6204 Remote Similarity NPD4197 Approved
0.6198 Remote Similarity NPD5168 Approved
0.6198 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6195 Remote Similarity NPD5778 Approved
0.6195 Remote Similarity NPD5779 Approved
0.619 Remote Similarity NPD6317 Approved
0.6182 Remote Similarity NPD7524 Approved
0.6179 Remote Similarity NPD5127 Approved
0.6161 Remote Similarity NPD5207 Approved
0.6161 Remote Similarity NPD7838 Discovery
0.6147 Remote Similarity NPD5363 Approved
0.6147 Remote Similarity NPD5329 Approved
0.6142 Remote Similarity NPD6314 Approved
0.6142 Remote Similarity NPD6335 Approved
0.6142 Remote Similarity NPD6313 Approved
0.614 Remote Similarity NPD7748 Approved
0.6126 Remote Similarity NPD6903 Approved
0.6126 Remote Similarity NPD6672 Approved
0.6126 Remote Similarity NPD5737 Approved
0.6111 Remote Similarity NPD5362 Discontinued
0.6111 Remote Similarity NPD6868 Approved
0.6106 Remote Similarity NPD5284 Approved
0.6106 Remote Similarity NPD5281 Approved
0.6106 Remote Similarity NPD7515 Phase 2
0.6095 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6091 Remote Similarity NPD5205 Approved
0.6091 Remote Similarity NPD4688 Approved
0.6091 Remote Similarity NPD7521 Approved
0.6091 Remote Similarity NPD5280 Approved
0.6091 Remote Similarity NPD4690 Approved
0.6091 Remote Similarity NPD4693 Phase 3
0.6091 Remote Similarity NPD4689 Approved
0.6091 Remote Similarity NPD4138 Approved
0.6091 Remote Similarity NPD4519 Discontinued
0.6091 Remote Similarity NPD7334 Approved
0.6091 Remote Similarity NPD4623 Approved
0.6091 Remote Similarity NPD6409 Approved
0.6091 Remote Similarity NPD5330 Approved
0.6091 Remote Similarity NPD7146 Approved
0.6091 Remote Similarity NPD6684 Approved
0.6091 Remote Similarity NPD4694 Approved
0.609 Remote Similarity NPD6033 Approved
0.6071 Remote Similarity NPD6101 Approved
0.6071 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6061 Remote Similarity NPD6336 Discontinued
0.6053 Remote Similarity NPD5133 Approved
0.605 Remote Similarity NPD5091 Approved
0.6036 Remote Similarity NPD3573 Approved
0.6032 Remote Similarity NPD5167 Approved
0.602 Remote Similarity NPD7341 Phase 2
0.6019 Remote Similarity NPD5209 Approved
0.6019 Remote Similarity NPD6435 Approved
0.6016 Remote Similarity NPD7328 Approved
0.6016 Remote Similarity NPD7327 Approved
0.6 Remote Similarity NPD6908 Approved
0.6 Remote Similarity NPD8516 Approved

Structure

External Identifiers

PubChem CID   25156985
ChEMBL   CHEMBL577799
ZINC  

Physicochemical Properties

Molecular Weight:  330.18
ALogP:  0.3985
MLogP:  3.22
XLogP:  0.992
# Rotatable Bonds:  6
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  24

Download Data

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