Natural Product: NPC294259

Natural Product ID:  NPC294259
Common Name:   Crotonkinensin A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H24O4
Standard InCHIKey:  MJXXHOYVYOQSOU-KTGBWCAVSA-N
Standard InCHI:  InChI=1S/C20H24O4/c1-9-10-5-6-13-19(4)15-11(18(2,3)8-12(15)21)7-14(24-19)20(13,16(9)22)17(10)23/h10,13-14,17,23H,1,5-8H2,2-4H3/t10-,13-,14-,17+,19-,20-/m0/s1
Canonical SMILES:  O=C1CC(C2=C1[C@@]1(C)O[C@@H](C2)[C@@]23[C@H]1CC[C@H]([C@H]3O)C(=C)C2=O)(C)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
NPO22879 Croton tonkinensis Species Euphorbiaceae Eukaryota Whole Plants Vietnam 2009-AUG PMID[23347584]
NPO22879 Croton tonkinensis Species Euphorbiaceae Eukaryota Vietnam PMID[19899773]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 1630 nM 19114678
NPT2 Others Unspecified IC50 = 2060 nM 17724156
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 7140 nM PubChem BioAssay data set

  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 NPC294259 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
0.949 High Similarity NPC168575
0.8455 Intermediate Similarity NPC473656
0.8378 Intermediate Similarity NPC475372
0.8304 Intermediate Similarity NPC312536
0.8257 Intermediate Similarity NPC69291
0.8224 Intermediate Similarity NPC220155
0.82 Intermediate Similarity NPC229976
0.8182 Intermediate Similarity NPC122056
0.8155 Intermediate Similarity NPC316598
0.8131 Intermediate Similarity NPC91034
0.8108 Intermediate Similarity NPC67259
0.8108 Intermediate Similarity NPC147912
0.8108 Intermediate Similarity NPC238667
0.81 Intermediate Similarity NPC190442
0.8091 Intermediate Similarity NPC476163
0.8077 Intermediate Similarity NPC474012
0.8077 Intermediate Similarity NPC476299
0.8073 Intermediate Similarity NPC179642
0.807 Intermediate Similarity NPC474370
0.8053 Intermediate Similarity NPC50774
0.8053 Intermediate Similarity NPC709
0.8039 Intermediate Similarity NPC316215
0.8036 Intermediate Similarity NPC64318
0.8019 Intermediate Similarity NPC476237
0.8019 Intermediate Similarity NPC112009
0.8 Intermediate Similarity NPC474315
0.7982 Intermediate Similarity NPC473270
0.7982 Intermediate Similarity NPC264954
0.7965 Intermediate Similarity NPC312824
0.7965 Intermediate Similarity NPC475323
0.7965 Intermediate Similarity NPC167606
0.7965 Intermediate Similarity NPC140055
0.7965 Intermediate Similarity NPC286528
0.7965 Intermediate Similarity NPC20302
0.7965 Intermediate Similarity NPC470493
0.7965 Intermediate Similarity NPC183580
0.7965 Intermediate Similarity NPC474518
0.7959 Intermediate Similarity NPC476043
0.7941 Intermediate Similarity NPC53685
0.7931 Intermediate Similarity NPC153700
0.7931 Intermediate Similarity NPC88326
0.7928 Intermediate Similarity NPC191620
0.7909 Intermediate Similarity NPC29133
0.7905 Intermediate Similarity NPC476303
0.7895 Intermediate Similarity NPC186525
0.789 Intermediate Similarity NPC177064
0.787 Intermediate Similarity NPC60681
0.7864 Intermediate Similarity NPC183012
0.7863 Intermediate Similarity NPC129992
0.7857 Intermediate Similarity NPC473535
0.7857 Intermediate Similarity NPC312017
0.7857 Intermediate Similarity NPC9848
0.785 Intermediate Similarity NPC176883
0.785 Intermediate Similarity NPC180204
0.7845 Intermediate Similarity NPC67569
0.7845 Intermediate Similarity NPC470878
0.7845 Intermediate Similarity NPC46570
0.7845 Intermediate Similarity NPC473256
0.7843 Intermediate Similarity NPC37816
0.7838 Intermediate Similarity NPC470961
0.783 Intermediate Similarity NPC472637
0.7826 Intermediate Similarity NPC473274
0.7818 Intermediate Similarity NPC474901
0.7818 Intermediate Similarity NPC475065
0.7818 Intermediate Similarity NPC475941
0.781 Intermediate Similarity NPC473155
0.781 Intermediate Similarity NPC252295
0.7807 Intermediate Similarity NPC239273
0.7807 Intermediate Similarity NPC470492
0.7807 Intermediate Similarity NPC243065
0.7798 Intermediate Similarity NPC329048
0.7798 Intermediate Similarity NPC330011
0.7797 Intermediate Similarity NPC8374
0.7797 Intermediate Similarity NPC8369
0.7788 Intermediate Similarity NPC242848
0.7788 Intermediate Similarity NPC117133
0.7778 Intermediate Similarity NPC296950
0.7778 Intermediate Similarity NPC23786
0.7778 Intermediate Similarity NPC107493
0.7778 Intermediate Similarity NPC470265
0.7778 Intermediate Similarity NPC146731
0.7768 Intermediate Similarity NPC100267
0.7768 Intermediate Similarity NPC207251
0.7768 Intermediate Similarity NPC285956
0.7768 Intermediate Similarity NPC475524
0.7767 Intermediate Similarity NPC470697
0.7759 Intermediate Similarity NPC474585
0.7757 Intermediate Similarity NPC185530
0.7757 Intermediate Similarity NPC155332
0.7757 Intermediate Similarity NPC32577
0.7757 Intermediate Similarity NPC476081
0.7757 Intermediate Similarity NPC25639
0.7757 Intermediate Similarity NPC114540
0.7748 Intermediate Similarity NPC99760
0.7748 Intermediate Similarity NPC470496
0.7745 Intermediate Similarity NPC233345
0.7745 Intermediate Similarity NPC72845
0.7745 Intermediate Similarity NPC186363
0.7736 Intermediate Similarity NPC476274
0.7736 Intermediate Similarity NPC201406
0.7736 Intermediate Similarity NPC47024
0.7736 Intermediate Similarity NPC154072
0.7727 Intermediate Similarity NPC318363
0.7727 Intermediate Similarity NPC475418
0.7727 Intermediate Similarity NPC473482
0.7723 Intermediate Similarity NPC288699
0.7723 Intermediate Similarity NPC119416
0.7714 Intermediate Similarity NPC474343
0.7714 Intermediate Similarity NPC73911
0.7712 Intermediate Similarity NPC469789
0.7712 Intermediate Similarity NPC471392
0.7706 Intermediate Similarity NPC475414
0.7706 Intermediate Similarity NPC173172
0.7706 Intermediate Similarity NPC477125
0.7706 Intermediate Similarity NPC266570
0.7705 Intermediate Similarity NPC34963
0.77 Intermediate Similarity NPC165895
0.7692 Intermediate Similarity NPC472485
0.7692 Intermediate Similarity NPC210214
0.7692 Intermediate Similarity NPC180950
0.7686 Intermediate Similarity NPC35109
0.7686 Intermediate Similarity NPC473593
0.7685 Intermediate Similarity NPC72151
0.7685 Intermediate Similarity NPC159442
0.7685 Intermediate Similarity NPC36688
0.7685 Intermediate Similarity NPC473283
0.7685 Intermediate Similarity NPC26478
0.7685 Intermediate Similarity NPC311612
0.7685 Intermediate Similarity NPC329345
0.7685 Intermediate Similarity NPC475526
0.7677 Intermediate Similarity NPC179006
0.7677 Intermediate Similarity NPC102292
0.7677 Intermediate Similarity NPC474853
0.7672 Intermediate Similarity NPC42673
0.7672 Intermediate Similarity NPC230513
0.767 Intermediate Similarity NPC139692
0.767 Intermediate Similarity NPC474807
0.767 Intermediate Similarity NPC472871
0.767 Intermediate Similarity NPC59170
0.767 Intermediate Similarity NPC115021
0.7664 Intermediate Similarity NPC112613
0.7664 Intermediate Similarity NPC477950
0.7664 Intermediate Similarity NPC195192
0.7664 Intermediate Similarity NPC475099
0.7664 Intermediate Similarity NPC473514
0.7664 Intermediate Similarity NPC207885
0.7664 Intermediate Similarity NPC469657
0.7664 Intermediate Similarity NPC244456
0.7664 Intermediate Similarity NPC81530
0.7664 Intermediate Similarity NPC282524
0.7664 Intermediate Similarity NPC476223
0.7664 Intermediate Similarity NPC224720
0.7664 Intermediate Similarity NPC237190
0.7664 Intermediate Similarity NPC476240
0.7664 Intermediate Similarity NPC304738
0.7652 Intermediate Similarity NPC284068
0.7652 Intermediate Similarity NPC55296
0.7652 Intermediate Similarity NPC470959
0.7652 Intermediate Similarity NPC476965
0.7647 Intermediate Similarity NPC51486
0.7647 Intermediate Similarity NPC149761
0.7647 Intermediate Similarity NPC261994
0.7647 Intermediate Similarity NPC230332
0.7647 Intermediate Similarity NPC470378
0.7647 Intermediate Similarity NPC126993
0.7647 Intermediate Similarity NPC161638
0.7647 Intermediate Similarity NPC180849
0.7642 Intermediate Similarity NPC124512
0.7642 Intermediate Similarity NPC278386
0.7642 Intermediate Similarity NPC471784
0.7642 Intermediate Similarity NPC303777
0.7642 Intermediate Similarity NPC469673
0.7642 Intermediate Similarity NPC216478
0.7642 Intermediate Similarity NPC57079
0.7642 Intermediate Similarity NPC98868
0.7642 Intermediate Similarity NPC141191
0.7642 Intermediate Similarity NPC159763
0.7642 Intermediate Similarity NPC108368
0.7642 Intermediate Similarity NPC58029
0.7636 Intermediate Similarity NPC475176
0.7636 Intermediate Similarity NPC144459
0.7636 Intermediate Similarity NPC131665
0.7636 Intermediate Similarity NPC220974
0.7636 Intermediate Similarity NPC473284
0.7636 Intermediate Similarity NPC475294
0.7636 Intermediate Similarity NPC255387
0.7632 Intermediate Similarity NPC474181
0.7632 Intermediate Similarity NPC284915
0.7632 Intermediate Similarity NPC123117
0.7632 Intermediate Similarity NPC326542
0.7627 Intermediate Similarity NPC269642
0.7624 Intermediate Similarity NPC477302
0.7624 Intermediate Similarity NPC471724
0.7624 Intermediate Similarity NPC474677
0.7624 Intermediate Similarity NPC277771
0.7623 Intermediate Similarity NPC279478
0.7623 Intermediate Similarity NPC241935
0.7623 Intermediate Similarity NPC196921
0.7623 Intermediate Similarity NPC220757
0.7619 Intermediate Similarity NPC307164

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC294259 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
0.7965 Intermediate Similarity NPD7115 Discovery
0.7642 Intermediate Similarity NPD4225 Approved
0.76 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7593 Intermediate Similarity NPD5211 Phase 2
0.757 Intermediate Similarity NPD5286 Approved
0.757 Intermediate Similarity NPD4696 Approved
0.757 Intermediate Similarity NPD5285 Approved
0.7547 Intermediate Similarity NPD4755 Approved
0.7524 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4202 Approved
0.7477 Intermediate Similarity NPD5697 Approved
0.7455 Intermediate Similarity NPD5141 Approved
0.7431 Intermediate Similarity NPD5226 Approved
0.7431 Intermediate Similarity NPD5225 Approved
0.7431 Intermediate Similarity NPD4633 Approved
0.7431 Intermediate Similarity NPD5224 Approved
0.7426 Intermediate Similarity NPD3618 Phase 1
0.7411 Intermediate Similarity NPD7320 Approved
0.7411 Intermediate Similarity NPD6881 Approved
0.7411 Intermediate Similarity NPD6899 Approved
0.7407 Intermediate Similarity NPD4700 Approved
0.7387 Intermediate Similarity NPD5739 Approved
0.7387 Intermediate Similarity NPD7128 Approved
0.7387 Intermediate Similarity NPD6675 Approved
0.7387 Intermediate Similarity NPD6402 Approved
0.7379 Intermediate Similarity NPD4753 Phase 2
0.7368 Intermediate Similarity NPD6649 Approved
0.7368 Intermediate Similarity NPD6650 Approved
0.7364 Intermediate Similarity NPD5175 Approved
0.7364 Intermediate Similarity NPD5174 Approved
0.7358 Intermediate Similarity NPD4629 Approved
0.7358 Intermediate Similarity NPD5210 Approved
0.7345 Intermediate Similarity NPD6012 Approved
0.7345 Intermediate Similarity NPD6373 Approved
0.7345 Intermediate Similarity NPD6014 Approved
0.7345 Intermediate Similarity NPD6013 Approved
0.7345 Intermediate Similarity NPD6372 Approved
0.7339 Intermediate Similarity NPD5223 Approved
0.7321 Intermediate Similarity NPD5701 Approved
0.7311 Intermediate Similarity NPD6054 Approved
0.7308 Intermediate Similarity NPD5785 Approved
0.7281 Intermediate Similarity NPD7102 Approved
0.7281 Intermediate Similarity NPD4634 Approved
0.7281 Intermediate Similarity NPD6883 Approved
0.7281 Intermediate Similarity NPD7290 Approved
0.7264 Intermediate Similarity NPD5282 Discontinued
0.7257 Intermediate Similarity NPD6011 Approved
0.725 Intermediate Similarity NPD6015 Approved
0.725 Intermediate Similarity NPD6016 Approved
0.7238 Intermediate Similarity NPD6079 Approved
0.7232 Intermediate Similarity NPD6008 Approved
0.7228 Intermediate Similarity NPD3133 Approved
0.7228 Intermediate Similarity NPD3666 Approved
0.7228 Intermediate Similarity NPD3665 Phase 1
0.7222 Intermediate Similarity NPD6083 Phase 2
0.7222 Intermediate Similarity NPD6084 Phase 2
0.7217 Intermediate Similarity NPD8130 Phase 1
0.7217 Intermediate Similarity NPD6617 Approved
0.7217 Intermediate Similarity NPD6869 Approved
0.7217 Intermediate Similarity NPD6847 Approved
0.7212 Intermediate Similarity NPD5328 Approved
0.7196 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD5695 Phase 3
0.719 Intermediate Similarity NPD5988 Approved
0.719 Intermediate Similarity NPD6370 Approved
0.717 Intermediate Similarity NPD6399 Phase 3
0.7167 Intermediate Similarity NPD6059 Approved
0.7157 Intermediate Similarity NPD1694 Approved
0.7156 Intermediate Similarity NPD5696 Approved
0.7156 Intermediate Similarity NPD7638 Approved
0.7155 Intermediate Similarity NPD6053 Discontinued
0.7155 Intermediate Similarity NPD8297 Approved
0.7155 Intermediate Similarity NPD6882 Approved
0.713 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD5222 Approved
0.713 Intermediate Similarity NPD4697 Phase 3
0.713 Intermediate Similarity NPD6371 Approved
0.713 Intermediate Similarity NPD5221 Approved
0.7105 Intermediate Similarity NPD4730 Approved
0.7105 Intermediate Similarity NPD5128 Approved
0.7105 Intermediate Similarity NPD4729 Approved
0.7097 Intermediate Similarity NPD7078 Approved
0.7091 Intermediate Similarity NPD7640 Approved
0.7091 Intermediate Similarity NPD7639 Approved
0.708 Intermediate Similarity NPD4768 Approved
0.708 Intermediate Similarity NPD4767 Approved
0.7073 Intermediate Similarity NPD7492 Approved
0.7064 Intermediate Similarity NPD5173 Approved
0.7059 Intermediate Similarity NPD4786 Approved
0.7054 Intermediate Similarity NPD4754 Approved
0.703 Intermediate Similarity NPD4223 Phase 3
0.703 Intermediate Similarity NPD4221 Approved
0.703 Intermediate Similarity NPD3667 Approved
0.7025 Intermediate Similarity NPD6319 Approved
0.7018 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD6616 Approved
0.6984 Remote Similarity NPD7319 Approved
0.6983 Remote Similarity NPD5248 Approved
0.6983 Remote Similarity NPD5250 Approved
0.6983 Remote Similarity NPD5247 Approved
0.6983 Remote Similarity NPD5251 Approved
0.6983 Remote Similarity NPD5249 Phase 3
0.6975 Remote Similarity NPD6274 Approved
0.6967 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6961 Remote Similarity NPD4788 Approved
0.6944 Remote Similarity NPD6001 Approved
0.6923 Remote Similarity NPD5690 Phase 2
0.6923 Remote Similarity NPD5215 Approved
0.6923 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5217 Approved
0.6923 Remote Similarity NPD5279 Phase 3
0.6923 Remote Similarity NPD5216 Approved
0.6916 Remote Similarity NPD5281 Approved
0.6916 Remote Similarity NPD5284 Approved
0.6916 Remote Similarity NPD5693 Phase 1
0.6905 Remote Similarity NPD7736 Approved
0.6893 Remote Similarity NPD4197 Approved
0.688 Remote Similarity NPD7507 Approved
0.6863 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6838 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6838 Remote Similarity NPD5169 Approved
0.6838 Remote Similarity NPD5135 Approved
0.6827 Remote Similarity NPD5363 Approved
0.6827 Remote Similarity NPD5329 Approved
0.6825 Remote Similarity NPD8293 Discontinued
0.6822 Remote Similarity NPD5207 Approved
0.6807 Remote Similarity NPD4632 Approved
0.6803 Remote Similarity NPD7101 Approved
0.6803 Remote Similarity NPD7100 Approved
0.6792 Remote Similarity NPD6903 Approved
0.678 Remote Similarity NPD5127 Approved
0.6777 Remote Similarity NPD6317 Approved
0.6762 Remote Similarity NPD5280 Approved
0.6762 Remote Similarity NPD4690 Approved
0.6762 Remote Similarity NPD6684 Approved
0.6762 Remote Similarity NPD4694 Approved
0.6762 Remote Similarity NPD4689 Approved
0.6762 Remote Similarity NPD7334 Approved
0.6762 Remote Similarity NPD7146 Approved
0.6762 Remote Similarity NPD6409 Approved
0.6762 Remote Similarity NPD5205 Approved
0.6762 Remote Similarity NPD4693 Phase 3
0.6762 Remote Similarity NPD5330 Approved
0.6762 Remote Similarity NPD7521 Approved
0.6762 Remote Similarity NPD4138 Approved
0.6762 Remote Similarity NPD4688 Approved
0.6759 Remote Similarity NPD8035 Phase 2
0.6759 Remote Similarity NPD8034 Phase 2
0.6757 Remote Similarity NPD7902 Approved
0.6752 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6724 Remote Similarity NPD6412 Phase 2
0.6721 Remote Similarity NPD6335 Approved
0.6721 Remote Similarity NPD6313 Approved
0.6721 Remote Similarity NPD6314 Approved
0.6695 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7632 Discontinued
0.6667 Remote Similarity NPD7525 Registered
0.6667 Remote Similarity NPD6686 Approved
0.6641 Remote Similarity NPD6033 Approved
0.6639 Remote Similarity NPD6009 Approved
0.6636 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6636 Remote Similarity NPD5737 Approved
0.6636 Remote Similarity NPD7748 Approved
0.6636 Remote Similarity NPD6672 Approved
0.6635 Remote Similarity NPD5362 Discontinued
0.6612 Remote Similarity NPD5167 Approved
0.6606 Remote Similarity NPD7637 Suspended
0.6606 Remote Similarity NPD7515 Phase 2
0.6604 Remote Similarity NPD4623 Approved
0.6604 Remote Similarity NPD4519 Discontinued
0.6602 Remote Similarity NPD5369 Approved
0.6585 Remote Similarity NPD7328 Approved
0.6585 Remote Similarity NPD7327 Approved
0.6574 Remote Similarity NPD6904 Approved
0.6574 Remote Similarity NPD6673 Approved
0.6574 Remote Similarity NPD1695 Approved
0.6574 Remote Similarity NPD6080 Approved
0.6571 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6571 Remote Similarity NPD3668 Phase 3
0.6569 Remote Similarity NPD4195 Approved
0.656 Remote Similarity NPD5983 Phase 2
0.656 Remote Similarity NPD7503 Approved
0.656 Remote Similarity NPD8033 Approved
0.656 Remote Similarity NPD6908 Approved
0.656 Remote Similarity NPD6909 Approved
0.6538 Remote Similarity NPD4269 Approved
0.6538 Remote Similarity NPD5956 Approved
0.6538 Remote Similarity NPD4270 Approved
0.6532 Remote Similarity NPD7516 Approved
0.6532 Remote Similarity NPD4522 Approved
0.6525 Remote Similarity NPD5168 Approved
0.6514 Remote Similarity NPD5692 Phase 3
0.6509 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6509 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6505 Remote Similarity NPD4695 Discontinued
0.6486 Remote Similarity NPD7900 Approved
0.6486 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6481 Remote Similarity NPD5208 Approved
0.648 Remote Similarity NPD8294 Approved
0.648 Remote Similarity NPD8377 Approved

Structure

External Identifiers

PubChem CID   44605338
ChEMBL   CHEMBL1080028
ZINC  

Physicochemical Properties

Molecular Weight:  328.17
ALogP:  0.3127
MLogP:  3.22
XLogP:  -0.194
# Rotatable Bonds:  4
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  24

Download Data

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