Natural Product: NPC471043

Natural Product ID:  NPC471043
Common Name:   Crotonkinin F
IUPAC Name:  
Synonyms:   crotonkinin F
Molecular Formula:   C24H34O5
Standard InCHIKey:  VVIUOIJWOANYOG-VDJOULASSA-N
Standard InCHI:  InChI=1S/C24H34O5/c1-14-17-7-8-18-23(5)10-6-9-22(4,13-28-15(2)25)19(23)11-20(29-16(3)26)24(18,12-17)21(14)27/h17-20H,1,6-13H2,2-5H3/t17-,18+,19-,20-,22-,23+,24-/m1/s1
Canonical SMILES:  CC(=O)O[C@@H]1C[C@@H]2[C@](C)(CCC[C@]2([C@H]2[C@@]31C[C@H](C(=C)C3=O)CC2)C)COC(=O)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]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 2880 nM 10.6019/CHEMBL1201861
NPT2 Others Unspecified IC50 = 4440 nM 16309323

  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 NPC471043 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
0.9765 High Similarity NPC470230
0.954 High Similarity NPC47853
0.9432 High Similarity NPC470229
0.9326 High Similarity NPC329910
0.9318 High Similarity NPC475118
0.9213 High Similarity NPC470232
0.9121 High Similarity NPC16911
0.9121 High Similarity NPC78427
0.9121 High Similarity NPC471038
0.9101 High Similarity NPC470385
0.9101 High Similarity NPC470386
0.9022 High Similarity NPC287676
0.8953 High Similarity NPC471042
0.8925 High Similarity NPC163963
0.8925 High Similarity NPC289148
0.8925 High Similarity NPC52899
0.8925 High Similarity NPC46848
0.8913 High Similarity NPC474793
0.8901 High Similarity NPC200054
0.8901 High Similarity NPC470387
0.8901 High Similarity NPC29410
0.8876 High Similarity NPC211403
0.8876 High Similarity NPC198242
0.883 High Similarity NPC246736
0.883 High Similarity NPC88203
0.883 High Similarity NPC148628
0.883 High Similarity NPC214946
0.883 High Similarity NPC304832
0.883 High Similarity NPC286519
0.883 High Similarity NPC76866
0.883 High Similarity NPC275990
0.8804 High Similarity NPC96839
0.8795 High Similarity NPC471475
0.8791 High Similarity NPC98639
0.8791 High Similarity NPC210214
0.8737 High Similarity NPC277074
0.8737 High Similarity NPC122811
0.8737 High Similarity NPC87927
0.8737 High Similarity NPC209298
0.8723 High Similarity NPC236585
0.871 High Similarity NPC20479
0.871 High Similarity NPC28864
0.871 High Similarity NPC162459
0.871 High Similarity NPC98837
0.871 High Similarity NPC38296
0.871 High Similarity NPC38471
0.8681 High Similarity NPC100257
0.8681 High Similarity NPC224410
0.8667 High Similarity NPC250753
0.8667 High Similarity NPC476934
0.8646 High Similarity NPC98603
0.8636 High Similarity NPC259009
0.8621 High Similarity NPC471034
0.8621 High Similarity NPC98270
0.8621 High Similarity NPC190704
0.8617 High Similarity NPC470388
0.8617 High Similarity NPC293866
0.8605 High Similarity NPC471037
0.8602 High Similarity NPC469810
0.8602 High Similarity NPC253586
0.8571 High Similarity NPC294263
0.8557 High Similarity NPC138908
0.8557 High Similarity NPC200957
0.8542 High Similarity NPC139347
0.8542 High Similarity NPC216114
0.8526 High Similarity NPC252614
0.8511 High Similarity NPC472028
0.8511 High Similarity NPC89099
0.8506 High Similarity NPC475509
0.8495 Intermediate Similarity NPC13949
0.8469 Intermediate Similarity NPC201908
0.8469 Intermediate Similarity NPC176949
0.8469 Intermediate Similarity NPC166993
0.8462 Intermediate Similarity NPC471901
0.8454 Intermediate Similarity NPC84928
0.8427 Intermediate Similarity NPC175293
0.8421 Intermediate Similarity NPC267921
0.8421 Intermediate Similarity NPC108371
0.8421 Intermediate Similarity NPC94906
0.8404 Intermediate Similarity NPC10864
0.8391 Intermediate Similarity NPC473742
0.8391 Intermediate Similarity NPC291320
0.8391 Intermediate Similarity NPC471036
0.8387 Intermediate Similarity NPC471624
0.8387 Intermediate Similarity NPC197158
0.8384 Intermediate Similarity NPC218123
0.8384 Intermediate Similarity NPC273155
0.8384 Intermediate Similarity NPC112895
0.8384 Intermediate Similarity NPC231278
0.837 Intermediate Similarity NPC287118
0.837 Intermediate Similarity NPC473690
0.837 Intermediate Similarity NPC199543
0.837 Intermediate Similarity NPC471902
0.8352 Intermediate Similarity NPC149761
0.8352 Intermediate Similarity NPC261994
0.8352 Intermediate Similarity NPC470378
0.8352 Intermediate Similarity NPC80401
0.8351 Intermediate Similarity NPC469985
0.8351 Intermediate Similarity NPC96217
0.8333 Intermediate Similarity NPC75941
0.8333 Intermediate Similarity NPC471790
0.8333 Intermediate Similarity NPC148279
0.8333 Intermediate Similarity NPC71706
0.8333 Intermediate Similarity NPC4309
0.8316 Intermediate Similarity NPC469986
0.8316 Intermediate Similarity NPC26270
0.8298 Intermediate Similarity NPC219353
0.8295 Intermediate Similarity NPC299963
0.8295 Intermediate Similarity NPC473336
0.8295 Intermediate Similarity NPC471044
0.8283 Intermediate Similarity NPC186054
0.8276 Intermediate Similarity NPC472504
0.8276 Intermediate Similarity NPC476458
0.8276 Intermediate Similarity NPC258153
0.8265 Intermediate Similarity NPC96268
0.8265 Intermediate Similarity NPC244247
0.8265 Intermediate Similarity NPC474558
0.8265 Intermediate Similarity NPC301787
0.8265 Intermediate Similarity NPC202793
0.8261 Intermediate Similarity NPC198054
0.8261 Intermediate Similarity NPC475416
0.8261 Intermediate Similarity NPC476168
0.8261 Intermediate Similarity NPC299185
0.8247 Intermediate Similarity NPC124544
0.8247 Intermediate Similarity NPC309388
0.8247 Intermediate Similarity NPC475803
0.8242 Intermediate Similarity NPC213832
0.8242 Intermediate Similarity NPC57954
0.8229 Intermediate Similarity NPC41971
0.8229 Intermediate Similarity NPC37047
0.8229 Intermediate Similarity NPC180733
0.8222 Intermediate Similarity NPC153604
0.8222 Intermediate Similarity NPC33768
0.82 Intermediate Similarity NPC63841
0.82 Intermediate Similarity NPC211224
0.8191 Intermediate Similarity NPC288906
0.8191 Intermediate Similarity NPC279974
0.8191 Intermediate Similarity NPC205173
0.8191 Intermediate Similarity NPC263135
0.8182 Intermediate Similarity NPC222833
0.8182 Intermediate Similarity NPC56656
0.8182 Intermediate Similarity NPC295366
0.8182 Intermediate Similarity NPC170862
0.8182 Intermediate Similarity NPC4115
0.8182 Intermediate Similarity NPC37600
0.8172 Intermediate Similarity NPC475061
0.8172 Intermediate Similarity NPC224060
0.8172 Intermediate Similarity NPC144739
0.8172 Intermediate Similarity NPC181594
0.8172 Intermediate Similarity NPC244356
0.8163 Intermediate Similarity NPC159442
0.8163 Intermediate Similarity NPC470310
0.8163 Intermediate Similarity NPC95899
0.8152 Intermediate Similarity NPC169933
0.8152 Intermediate Similarity NPC475965
0.8152 Intermediate Similarity NPC474842
0.8152 Intermediate Similarity NPC475776
0.8144 Intermediate Similarity NPC121218
0.8144 Intermediate Similarity NPC253886
0.8144 Intermediate Similarity NPC14634
0.8137 Intermediate Similarity NPC470281
0.8137 Intermediate Similarity NPC329953
0.8132 Intermediate Similarity NPC146937
0.8132 Intermediate Similarity NPC474719
0.8132 Intermediate Similarity NPC471900
0.8132 Intermediate Similarity NPC56413
0.8132 Intermediate Similarity NPC80335
0.8125 Intermediate Similarity NPC119036
0.8119 Intermediate Similarity NPC274827
0.8119 Intermediate Similarity NPC131903
0.8111 Intermediate Similarity NPC12774
0.8111 Intermediate Similarity NPC2783
0.8105 Intermediate Similarity NPC151725
0.8105 Intermediate Similarity NPC111684
0.8105 Intermediate Similarity NPC104568
0.8105 Intermediate Similarity NPC106425
0.8105 Intermediate Similarity NPC122324
0.8105 Intermediate Similarity NPC234564
0.8105 Intermediate Similarity NPC327788
0.8105 Intermediate Similarity NPC58052
0.81 Intermediate Similarity NPC96333
0.81 Intermediate Similarity NPC471474
0.81 Intermediate Similarity NPC88833
0.81 Intermediate Similarity NPC61071
0.8085 Intermediate Similarity NPC129004
0.8085 Intermediate Similarity NPC111524
0.8085 Intermediate Similarity NPC471078
0.8085 Intermediate Similarity NPC289539
0.8085 Intermediate Similarity NPC292374
0.8085 Intermediate Similarity NPC473280
0.8085 Intermediate Similarity NPC191094
0.8085 Intermediate Similarity NPC104371
0.8085 Intermediate Similarity NPC302008
0.8085 Intermediate Similarity NPC473435
0.8085 Intermediate Similarity NPC64006
0.8085 Intermediate Similarity NPC261333
0.8085 Intermediate Similarity NPC469982
0.8085 Intermediate Similarity NPC91772
0.8085 Intermediate Similarity NPC101233
0.8085 Intermediate Similarity NPC215271

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471043 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
0.8065 Intermediate Similarity NPD8035 Phase 2
0.8065 Intermediate Similarity NPD8034 Phase 2
0.8 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7755 Intermediate Similarity NPD7638 Approved
0.7742 Intermediate Similarity NPD6672 Approved
0.7742 Intermediate Similarity NPD5737 Approved
0.7742 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7717 Intermediate Similarity NPD6409 Approved
0.7717 Intermediate Similarity NPD7521 Approved
0.7717 Intermediate Similarity NPD7334 Approved
0.7717 Intermediate Similarity NPD6684 Approved
0.7717 Intermediate Similarity NPD7146 Approved
0.7717 Intermediate Similarity NPD5330 Approved
0.7708 Intermediate Similarity NPD7748 Approved
0.7708 Intermediate Similarity NPD7900 Approved
0.7708 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7677 Intermediate Similarity NPD7640 Approved
0.7677 Intermediate Similarity NPD7639 Approved
0.7647 Intermediate Similarity NPD6008 Approved
0.7614 Intermediate Similarity NPD6697 Approved
0.7614 Intermediate Similarity NPD6118 Approved
0.7614 Intermediate Similarity NPD6115 Approved
0.7614 Intermediate Similarity NPD6114 Approved
0.7604 Intermediate Similarity NPD6399 Phase 3
0.7553 Intermediate Similarity NPD6903 Approved
0.75 Intermediate Similarity NPD7515 Phase 2
0.7475 Intermediate Similarity NPD7902 Approved
0.7449 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD4788 Approved
0.7386 Intermediate Similarity NPD6117 Approved
0.7333 Intermediate Similarity NPD6881 Approved
0.7333 Intermediate Similarity NPD6899 Approved
0.7326 Intermediate Similarity NPD5777 Approved
0.732 Intermediate Similarity NPD6079 Approved
0.7308 Intermediate Similarity NPD7128 Approved
0.7308 Intermediate Similarity NPD5739 Approved
0.7308 Intermediate Similarity NPD6675 Approved
0.7308 Intermediate Similarity NPD6402 Approved
0.7303 Intermediate Similarity NPD6116 Phase 1
0.7292 Intermediate Similarity NPD6904 Approved
0.7292 Intermediate Similarity NPD6673 Approved
0.7292 Intermediate Similarity NPD6080 Approved
0.7292 Intermediate Similarity NPD5328 Approved
0.7263 Intermediate Similarity NPD3573 Approved
0.7238 Intermediate Similarity NPD5697 Approved
0.7232 Intermediate Similarity NPD6319 Approved
0.7196 Intermediate Similarity NPD7290 Approved
0.7196 Intermediate Similarity NPD6883 Approved
0.7196 Intermediate Similarity NPD7102 Approved
0.7184 Intermediate Similarity NPD7632 Discontinued
0.717 Intermediate Similarity NPD7320 Approved
0.717 Intermediate Similarity NPD6011 Approved
0.7159 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD6098 Approved
0.7158 Intermediate Similarity NPD3618 Phase 1
0.7156 Intermediate Similarity NPD4632 Approved
0.713 Intermediate Similarity NPD6869 Approved
0.713 Intermediate Similarity NPD6617 Approved
0.713 Intermediate Similarity NPD7492 Approved
0.713 Intermediate Similarity NPD6649 Approved
0.713 Intermediate Similarity NPD6650 Approved
0.713 Intermediate Similarity NPD8130 Phase 1
0.713 Intermediate Similarity NPD6847 Approved
0.7129 Intermediate Similarity NPD6084 Phase 2
0.7129 Intermediate Similarity NPD6083 Phase 2
0.7128 Intermediate Similarity NPD4786 Approved
0.7117 Intermediate Similarity NPD7115 Discovery
0.7103 Intermediate Similarity NPD6372 Approved
0.7103 Intermediate Similarity NPD6013 Approved
0.7103 Intermediate Similarity NPD6014 Approved
0.7103 Intermediate Similarity NPD6012 Approved
0.7103 Intermediate Similarity NPD6373 Approved
0.7097 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD7736 Approved
0.708 Intermediate Similarity NPD6054 Approved
0.7075 Intermediate Similarity NPD5701 Approved
0.7069 Intermediate Similarity NPD6616 Approved
0.7064 Intermediate Similarity NPD8297 Approved
0.7064 Intermediate Similarity NPD6882 Approved
0.703 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD5221 Approved
0.703 Intermediate Similarity NPD5222 Approved
0.701 Intermediate Similarity NPD5208 Approved
0.7009 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD7078 Approved
0.7 Intermediate Similarity NPD8133 Approved
0.7 Intermediate Similarity NPD6001 Approved
0.6979 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6972 Remote Similarity NPD6401 Clinical (unspecified phase)
0.697 Remote Similarity NPD5693 Phase 1
0.697 Remote Similarity NPD6050 Approved
0.6964 Remote Similarity NPD6009 Approved
0.6961 Remote Similarity NPD5173 Approved
0.6957 Remote Similarity NPD6370 Approved
0.6947 Remote Similarity NPD3668 Phase 3
0.6932 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6932 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6931 Remote Similarity NPD5695 Phase 3
0.693 Remote Similarity NPD6059 Approved
0.6915 Remote Similarity NPD3667 Approved
0.69 Remote Similarity NPD4202 Approved
0.6897 Remote Similarity NPD7604 Phase 2
0.6893 Remote Similarity NPD5696 Approved
0.6889 Remote Similarity NPD3703 Phase 2
0.6881 Remote Similarity NPD4634 Approved
0.6875 Remote Similarity NPD6868 Approved
0.6875 Remote Similarity NPD1694 Approved
0.687 Remote Similarity NPD6015 Approved
0.687 Remote Similarity NPD5983 Phase 2
0.687 Remote Similarity NPD6016 Approved
0.6869 Remote Similarity NPD5692 Phase 3
0.6864 Remote Similarity NPD8293 Discontinued
0.6863 Remote Similarity NPD4697 Phase 3
0.6827 Remote Similarity NPD4696 Approved
0.6827 Remote Similarity NPD5285 Approved
0.6827 Remote Similarity NPD5286 Approved
0.681 Remote Similarity NPD5988 Approved
0.68 Remote Similarity NPD5694 Approved
0.6796 Remote Similarity NPD4755 Approved
0.678 Remote Similarity NPD6336 Discontinued
0.6771 Remote Similarity NPD3133 Approved
0.6771 Remote Similarity NPD3666 Approved
0.6771 Remote Similarity NPD3665 Phase 1
0.6762 Remote Similarity NPD5223 Approved
0.6759 Remote Similarity NPD6412 Phase 2
0.6759 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6754 Remote Similarity NPD6335 Approved
0.6752 Remote Similarity NPD8328 Phase 3
0.675 Remote Similarity NPD7319 Approved
0.6744 Remote Similarity NPD4224 Phase 2
0.6742 Remote Similarity NPD6081 Approved
0.6731 Remote Similarity NPD4225 Approved
0.6726 Remote Similarity NPD6274 Approved
0.6705 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6705 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6702 Remote Similarity NPD7525 Registered
0.67 Remote Similarity NPD5207 Approved
0.6698 Remote Similarity NPD5225 Approved
0.6698 Remote Similarity NPD5211 Phase 2
0.6698 Remote Similarity NPD4633 Approved
0.6698 Remote Similarity NPD5226 Approved
0.6698 Remote Similarity NPD5224 Approved
0.6697 Remote Similarity NPD6686 Approved
0.6696 Remote Similarity NPD7100 Approved
0.6696 Remote Similarity NPD7101 Approved
0.6667 Remote Similarity NPD4700 Approved
0.6667 Remote Similarity NPD6317 Approved
0.6639 Remote Similarity NPD7507 Approved
0.6636 Remote Similarity NPD5175 Approved
0.6636 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6636 Remote Similarity NPD5174 Approved
0.6636 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6634 Remote Similarity NPD7637 Suspended
0.6634 Remote Similarity NPD6411 Approved
0.6609 Remote Similarity NPD6313 Approved
0.6609 Remote Similarity NPD6314 Approved
0.66 Remote Similarity NPD6051 Approved
0.66 Remote Similarity NPD4753 Phase 2
0.6591 Remote Similarity NPD5360 Phase 3
0.6591 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6577 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6574 Remote Similarity NPD5141 Approved
0.6562 Remote Similarity NPD4221 Approved
0.6562 Remote Similarity NPD4223 Phase 3
0.6538 Remote Similarity NPD7732 Phase 3
0.6531 Remote Similarity NPD5329 Approved
0.6529 Remote Similarity NPD6033 Approved
0.6522 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6522 Remote Similarity NPD3702 Approved
0.6481 Remote Similarity NPD6052 Approved
0.6481 Remote Similarity NPD4754 Approved
0.6471 Remote Similarity NPD5281 Approved
0.6471 Remote Similarity NPD5284 Approved
0.6465 Remote Similarity NPD5279 Phase 3
0.6455 Remote Similarity NPD6614 Approved
0.6444 Remote Similarity NPD4244 Approved
0.6444 Remote Similarity NPD4747 Approved
0.6444 Remote Similarity NPD4789 Approved
0.6444 Remote Similarity NPD4245 Approved
0.6444 Remote Similarity NPD4691 Approved
0.6442 Remote Similarity NPD4629 Approved
0.6442 Remote Similarity NPD5210 Approved
0.6442 Remote Similarity NPD5654 Approved
0.6441 Remote Similarity NPD6908 Approved
0.6441 Remote Similarity NPD6909 Approved
0.6441 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6436 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6436 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6436 Remote Similarity NPD6101 Approved
0.6429 Remote Similarity NPD4197 Approved
0.6408 Remote Similarity NPD5778 Approved
0.6408 Remote Similarity NPD5779 Approved
0.6396 Remote Similarity NPD4729 Approved
0.6396 Remote Similarity NPD5128 Approved
0.6396 Remote Similarity NPD5168 Approved
0.6396 Remote Similarity NPD4730 Approved
0.6364 Remote Similarity NPD4767 Approved
0.6364 Remote Similarity NPD4768 Approved
0.6354 Remote Similarity NPD4695 Discontinued
0.6333 Remote Similarity NPD4137 Phase 3

Structure

External Identifiers

PubChem CID   71578804
ChEMBL   CHEMBL2337582
ZINC  

Physicochemical Properties

Molecular Weight:  402.24
ALogP:  0.5784
MLogP:  3.55
XLogP:  4.582
# Rotatable Bonds:  9
Polar Surface Area:  69.67
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  29

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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