Natural Product: NPC471044

Natural Product ID:  NPC471044
Common Name:   Crotonkinin G
IUPAC Name:  
Synonyms:   crotonkinin G
Molecular Formula:   C23H36O5
Standard InCHIKey:  GDGOVQAHSVMHTH-GMLUZKLCSA-N
Standard InCHI:  InChI=1S/C23H36O5/c1-14(24)28-13-21(2)8-5-9-22(3)17-7-6-15-11-23(17,19(25)10-18(21)22)20(26)16(15)12-27-4/h15-19,25H,5-13H2,1-4H3/t15-,16?,17+,18-,19-,21-,22+,23-/m1/s1
Canonical SMILES:  COCC1[C@@H]2CC[C@@H]3[C@](C1=O)(C2)[C@H](O)C[C@H]1[C@@]3(C)CCC[C@]1(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 = 4290 nM 10.6019/CHEMBL1201861
NPT2 Others Unspecified Inhibition = 11.14 % 19256529

  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 NPC471044 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
1.0 High Similarity NPC473336
0.9359 High Similarity NPC201276
0.9359 High Similarity NPC80891
0.9231 High Similarity NPC80089
0.9231 High Similarity NPC224802
0.9231 High Similarity NPC34046
0.9231 High Similarity NPC324700
0.9231 High Similarity NPC171426
0.907 High Similarity NPC476189
0.9024 High Similarity NPC219535
0.9024 High Similarity NPC319909
0.9024 High Similarity NPC237938
0.9012 High Similarity NPC289486
0.9012 High Similarity NPC61107
0.8974 High Similarity NPC4209
0.8916 High Similarity NPC473350
0.8875 High Similarity NPC320144
0.8864 High Similarity NPC62407
0.8864 High Similarity NPC287354
0.8861 High Similarity NPC207010
0.8861 High Similarity NPC477918
0.8861 High Similarity NPC317913
0.8846 High Similarity NPC212733
0.881 High Similarity NPC302111
0.881 High Similarity NPC83242
0.8795 High Similarity NPC477434
0.878 High Similarity NPC121121
0.8765 High Similarity NPC261616
0.875 High Similarity NPC47853
0.875 High Similarity NPC185465
0.8736 High Similarity NPC52756
0.8734 High Similarity NPC477933
0.8734 High Similarity NPC477932
0.8721 High Similarity NPC61688
0.8721 High Similarity NPC471459
0.8721 High Similarity NPC200580
0.8721 High Similarity NPC67653
0.8718 High Similarity NPC280026
0.8718 High Similarity NPC167702
0.8659 High Similarity NPC58631
0.8625 High Similarity NPC471151
0.8625 High Similarity NPC143133
0.8625 High Similarity NPC298168
0.8621 High Similarity NPC77756
0.8608 High Similarity NPC477934
0.8605 High Similarity NPC131104
0.8605 High Similarity NPC3032
0.8605 High Similarity NPC473319
0.859 High Similarity NPC232112
0.8571 High Similarity NPC50438
0.8571 High Similarity NPC473299
0.8556 High Similarity NPC116683
0.8556 High Similarity NPC329910
0.8554 High Similarity NPC30583
0.8537 High Similarity NPC477851
0.8506 High Similarity NPC56962
0.8506 High Similarity NPC24705
0.8488 Intermediate Similarity NPC252714
0.8481 Intermediate Similarity NPC477930
0.8462 Intermediate Similarity NPC58057
0.8462 Intermediate Similarity NPC320549
0.8462 Intermediate Similarity NPC156277
0.8462 Intermediate Similarity NPC253586
0.8462 Intermediate Similarity NPC469940
0.8462 Intermediate Similarity NPC151018
0.8452 Intermediate Similarity NPC292458
0.8452 Intermediate Similarity NPC217559
0.8452 Intermediate Similarity NPC268578
0.8444 Intermediate Similarity NPC470229
0.8444 Intermediate Similarity NPC470232
0.8434 Intermediate Similarity NPC12933
0.8434 Intermediate Similarity NPC73515
0.8434 Intermediate Similarity NPC469745
0.8415 Intermediate Similarity NPC476176
0.8415 Intermediate Similarity NPC220379
0.8409 Intermediate Similarity NPC475211
0.8409 Intermediate Similarity NPC88337
0.8395 Intermediate Similarity NPC212453
0.8391 Intermediate Similarity NPC226491
0.8391 Intermediate Similarity NPC477614
0.8375 Intermediate Similarity NPC97534
0.8375 Intermediate Similarity NPC159789
0.8375 Intermediate Similarity NPC174964
0.8375 Intermediate Similarity NPC195155
0.8375 Intermediate Similarity NPC273366
0.8372 Intermediate Similarity NPC472272
0.8372 Intermediate Similarity NPC80700
0.837 Intermediate Similarity NPC78427
0.837 Intermediate Similarity NPC16911
0.837 Intermediate Similarity NPC471038
0.8352 Intermediate Similarity NPC193785
0.8333 Intermediate Similarity NPC13494
0.8333 Intermediate Similarity NPC475118
0.8333 Intermediate Similarity NPC470386
0.8333 Intermediate Similarity NPC477929
0.8333 Intermediate Similarity NPC477935
0.8333 Intermediate Similarity NPC470385
0.8313 Intermediate Similarity NPC470609
0.8295 Intermediate Similarity NPC477443
0.8295 Intermediate Similarity NPC477440
0.8295 Intermediate Similarity NPC471043
0.8293 Intermediate Similarity NPC471045
0.8293 Intermediate Similarity NPC329117
0.828 Intermediate Similarity NPC108371
0.828 Intermediate Similarity NPC94906
0.828 Intermediate Similarity NPC287676
0.8276 Intermediate Similarity NPC263802
0.8276 Intermediate Similarity NPC239938
0.8272 Intermediate Similarity NPC475742
0.8272 Intermediate Similarity NPC472487
0.8272 Intermediate Similarity NPC474020
0.8272 Intermediate Similarity NPC471046
0.8272 Intermediate Similarity NPC472486
0.8272 Intermediate Similarity NPC5767
0.8256 Intermediate Similarity NPC477445
0.8256 Intermediate Similarity NPC477205
0.825 Intermediate Similarity NPC254340
0.8228 Intermediate Similarity NPC89310
0.8222 Intermediate Similarity NPC473690
0.8222 Intermediate Similarity NPC287118
0.8222 Intermediate Similarity NPC471902
0.8205 Intermediate Similarity NPC476734
0.8205 Intermediate Similarity NPC131892
0.8205 Intermediate Similarity NPC469941
0.8205 Intermediate Similarity NPC252032
0.8205 Intermediate Similarity NPC213178
0.8205 Intermediate Similarity NPC319671
0.8205 Intermediate Similarity NPC6120
0.8205 Intermediate Similarity NPC327728
0.8202 Intermediate Similarity NPC477444
0.8202 Intermediate Similarity NPC477442
0.8202 Intermediate Similarity NPC477433
0.8191 Intermediate Similarity NPC163963
0.8191 Intermediate Similarity NPC75941
0.8191 Intermediate Similarity NPC52899
0.8191 Intermediate Similarity NPC289148
0.8191 Intermediate Similarity NPC46848
0.8182 Intermediate Similarity NPC471221
0.8172 Intermediate Similarity NPC474793
0.8172 Intermediate Similarity NPC472028
0.8171 Intermediate Similarity NPC475031
0.8171 Intermediate Similarity NPC221420
0.8171 Intermediate Similarity NPC23884
0.8161 Intermediate Similarity NPC114378
0.8161 Intermediate Similarity NPC103782
0.8152 Intermediate Similarity NPC470387
0.8152 Intermediate Similarity NPC29410
0.8152 Intermediate Similarity NPC200054
0.8148 Intermediate Similarity NPC125767
0.8148 Intermediate Similarity NPC472311
0.8148 Intermediate Similarity NPC21220
0.8148 Intermediate Similarity NPC186851
0.814 Intermediate Similarity NPC181871
0.814 Intermediate Similarity NPC9060
0.8132 Intermediate Similarity NPC470424
0.8118 Intermediate Similarity NPC100366
0.8118 Intermediate Similarity NPC154043
0.8118 Intermediate Similarity NPC268040
0.8118 Intermediate Similarity NPC242771
0.8118 Intermediate Similarity NPC202688
0.8118 Intermediate Similarity NPC60018
0.8118 Intermediate Similarity NPC311642
0.8118 Intermediate Similarity NPC477936
0.8118 Intermediate Similarity NPC164289
0.8111 Intermediate Similarity NPC470230
0.8111 Intermediate Similarity NPC475416
0.8111 Intermediate Similarity NPC198242
0.8111 Intermediate Similarity NPC471901
0.8111 Intermediate Similarity NPC211403
0.8105 Intermediate Similarity NPC246736
0.8105 Intermediate Similarity NPC124544
0.8105 Intermediate Similarity NPC214946
0.8105 Intermediate Similarity NPC286519
0.8105 Intermediate Similarity NPC470172
0.8105 Intermediate Similarity NPC275990
0.8105 Intermediate Similarity NPC88203
0.8105 Intermediate Similarity NPC76866
0.8105 Intermediate Similarity NPC304832
0.8105 Intermediate Similarity NPC148628
0.8095 Intermediate Similarity NPC472853
0.809 Intermediate Similarity NPC213832
0.809 Intermediate Similarity NPC57954
0.8085 Intermediate Similarity NPC41971
0.8085 Intermediate Similarity NPC37047
0.8085 Intermediate Similarity NPC180733
0.8072 Intermediate Similarity NPC476732
0.8072 Intermediate Similarity NPC243594
0.8072 Intermediate Similarity NPC199965
0.8072 Intermediate Similarity NPC31031
0.8068 Intermediate Similarity NPC202937
0.8068 Intermediate Similarity NPC33768
0.8068 Intermediate Similarity NPC470920
0.8065 Intermediate Similarity NPC472273
0.8046 Intermediate Similarity NPC131350
0.8046 Intermediate Similarity NPC62572
0.8046 Intermediate Similarity NPC266651
0.8046 Intermediate Similarity NPC474572
0.8043 Intermediate Similarity NPC263135
0.8043 Intermediate Similarity NPC305808
0.8043 Intermediate Similarity NPC279974

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471044 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
0.9231 High Similarity NPD6118 Approved
0.9231 High Similarity NPD6697 Approved
0.9231 High Similarity NPD6115 Approved
0.9231 High Similarity NPD6114 Approved
0.8974 High Similarity NPD6117 Approved
0.8861 High Similarity NPD6116 Phase 1
0.8718 High Similarity NPD6113 Clinical (unspecified phase)
0.8462 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.8462 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.8375 Intermediate Similarity NPD3703 Phase 2
0.8205 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.8205 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD5777 Approved
0.8 Intermediate Similarity NPD6081 Approved
0.7875 Intermediate Similarity NPD4789 Approved
0.7875 Intermediate Similarity NPD4244 Approved
0.7875 Intermediate Similarity NPD4245 Approved
0.7848 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7848 Intermediate Similarity NPD5360 Phase 3
0.7841 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7821 Intermediate Similarity NPD4224 Phase 2
0.775 Intermediate Similarity NPD3698 Phase 2
0.7717 Intermediate Similarity NPD8035 Phase 2
0.7717 Intermediate Similarity NPD8034 Phase 2
0.7711 Intermediate Similarity NPD3702 Approved
0.7692 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD3671 Phase 1
0.7423 Intermediate Similarity NPD7638 Approved
0.7349 Intermediate Similarity NPD4758 Discontinued
0.7347 Intermediate Similarity NPD7640 Approved
0.7347 Intermediate Similarity NPD7639 Approved
0.7347 Intermediate Similarity NPD8418 Phase 2
0.7317 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6928 Phase 2
0.7263 Intermediate Similarity NPD6399 Phase 3
0.7241 Intermediate Similarity NPD5364 Discontinued
0.7228 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD7632 Discontinued
0.7045 Intermediate Similarity NPD4802 Phase 2
0.7045 Intermediate Similarity NPD4238 Approved
0.7019 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD7748 Approved
0.699 Remote Similarity NPD7128 Approved
0.699 Remote Similarity NPD6402 Approved
0.699 Remote Similarity NPD6675 Approved
0.699 Remote Similarity NPD5739 Approved
0.6979 Remote Similarity NPD7515 Phase 2
0.6957 Remote Similarity NPD4786 Approved
0.6947 Remote Similarity NPD5328 Approved
0.6931 Remote Similarity NPD1700 Approved
0.6857 Remote Similarity NPD6881 Approved
0.6857 Remote Similarity NPD6899 Approved
0.6857 Remote Similarity NPD7320 Approved
0.6848 Remote Similarity NPD4788 Approved
0.6824 Remote Similarity NPD4787 Phase 1
0.6809 Remote Similarity NPD3618 Phase 1
0.6804 Remote Similarity NPD6079 Approved
0.68 Remote Similarity NPD7902 Approved
0.68 Remote Similarity NPD6083 Phase 2
0.68 Remote Similarity NPD6084 Phase 2
0.6792 Remote Similarity NPD6373 Approved
0.6792 Remote Similarity NPD6372 Approved
0.6786 Remote Similarity NPD6319 Approved
0.6762 Remote Similarity NPD5697 Approved
0.6762 Remote Similarity NPD5701 Approved
0.6739 Remote Similarity NPD3667 Approved
0.6729 Remote Similarity NPD7290 Approved
0.6729 Remote Similarity NPD6883 Approved
0.6729 Remote Similarity NPD7102 Approved
0.6727 Remote Similarity NPD6940 Discontinued
0.6698 Remote Similarity NPD6011 Approved
0.6697 Remote Similarity NPD4632 Approved
0.6697 Remote Similarity NPD8133 Approved
0.6696 Remote Similarity NPD7492 Approved
0.6667 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6008 Approved
0.6667 Remote Similarity NPD7115 Discovery
0.6667 Remote Similarity NPD8130 Phase 1
0.6667 Remote Similarity NPD6649 Approved
0.6667 Remote Similarity NPD6650 Approved
0.6667 Remote Similarity NPD5737 Approved
0.6667 Remote Similarity NPD6847 Approved
0.6667 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6869 Approved
0.6667 Remote Similarity NPD7736 Approved
0.6667 Remote Similarity NPD6672 Approved
0.6667 Remote Similarity NPD6617 Approved
0.6638 Remote Similarity NPD6616 Approved
0.6637 Remote Similarity NPD6059 Approved
0.6637 Remote Similarity NPD6054 Approved
0.6636 Remote Similarity NPD6012 Approved
0.6636 Remote Similarity NPD6013 Approved
0.6636 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6636 Remote Similarity NPD6014 Approved
0.6632 Remote Similarity NPD5330 Approved
0.6632 Remote Similarity NPD7521 Approved
0.6632 Remote Similarity NPD7334 Approved
0.6632 Remote Similarity NPD7146 Approved
0.6632 Remote Similarity NPD6409 Approved
0.6632 Remote Similarity NPD6684 Approved
0.6625 Remote Similarity NPD3198 Approved
0.6606 Remote Similarity NPD6882 Approved
0.6606 Remote Similarity NPD8297 Approved
0.6581 Remote Similarity NPD7078 Approved
0.6581 Remote Similarity NPD8293 Discontinued
0.6566 Remote Similarity NPD4202 Approved
0.6566 Remote Similarity NPD8171 Discontinued
0.6535 Remote Similarity NPD4697 Phase 3
0.6535 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6535 Remote Similarity NPD5222 Approved
0.6535 Remote Similarity NPD5221 Approved
0.6522 Remote Similarity NPD7525 Registered
0.6522 Remote Similarity NPD6370 Approved
0.6518 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6518 Remote Similarity NPD6009 Approved
0.6509 Remote Similarity NPD6920 Discontinued
0.65 Remote Similarity NPD7900 Approved
0.65 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6495 Remote Similarity NPD6903 Approved
0.6481 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6471 Remote Similarity NPD4755 Approved
0.6471 Remote Similarity NPD5173 Approved
0.6471 Remote Similarity NPD7319 Approved
0.6466 Remote Similarity NPD7604 Phase 2
0.6465 Remote Similarity NPD7637 Suspended
0.6458 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6449 Remote Similarity NPD6412 Phase 2
0.6436 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6436 Remote Similarity NPD5695 Phase 3
0.6435 Remote Similarity NPD6015 Approved
0.6435 Remote Similarity NPD5983 Phase 2
0.6435 Remote Similarity NPD6016 Approved
0.6429 Remote Similarity NPD6868 Approved
0.6422 Remote Similarity NPD4634 Approved
0.6421 Remote Similarity NPD3666 Approved
0.6421 Remote Similarity NPD3133 Approved
0.6421 Remote Similarity NPD3665 Phase 1
0.641 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6408 Remote Similarity NPD5696 Approved
0.6396 Remote Similarity NPD8298 Phase 2
0.6379 Remote Similarity NPD5988 Approved
0.6356 Remote Similarity NPD7507 Approved
0.6356 Remote Similarity NPD6336 Discontinued
0.6346 Remote Similarity NPD5285 Approved
0.6346 Remote Similarity NPD5286 Approved
0.6346 Remote Similarity NPD4696 Approved
0.6346 Remote Similarity NPD4700 Approved
0.6325 Remote Similarity NPD8328 Phase 3
0.6316 Remote Similarity NPD6335 Approved
0.6316 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6316 Remote Similarity NPD3669 Approved
0.63 Remote Similarity NPD6411 Approved
0.6293 Remote Similarity NPD6921 Approved
0.6289 Remote Similarity NPD6098 Approved
0.6286 Remote Similarity NPD5223 Approved
0.6283 Remote Similarity NPD6274 Approved
0.6277 Remote Similarity NPD1780 Approved
0.6277 Remote Similarity NPD1779 Approved
0.6275 Remote Similarity NPD7991 Discontinued
0.6273 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6263 Remote Similarity NPD4753 Phase 2
0.6263 Remote Similarity NPD6673 Approved
0.6263 Remote Similarity NPD6080 Approved
0.6263 Remote Similarity NPD6904 Approved
0.6261 Remote Similarity NPD7101 Approved
0.6261 Remote Similarity NPD7100 Approved
0.625 Remote Similarity NPD6033 Approved
0.625 Remote Similarity NPD3668 Phase 3
0.6239 Remote Similarity NPD6415 Discontinued
0.6228 Remote Similarity NPD6317 Approved
0.6226 Remote Similarity NPD5226 Approved
0.6226 Remote Similarity NPD5211 Phase 2
0.6226 Remote Similarity NPD5225 Approved
0.6226 Remote Similarity NPD5224 Approved
0.6226 Remote Similarity NPD4633 Approved
0.6207 Remote Similarity NPD229 Approved
0.62 Remote Similarity NPD6701 Clinical (unspecified phase)
0.62 Remote Similarity NPD6700 Approved
0.6174 Remote Similarity NPD6313 Approved
0.6174 Remote Similarity NPD6314 Approved
0.6168 Remote Similarity NPD5175 Approved
0.6168 Remote Similarity NPD4754 Approved
0.6168 Remote Similarity NPD5174 Approved
0.6154 Remote Similarity NPD6909 Approved
0.6154 Remote Similarity NPD6908 Approved
0.6139 Remote Similarity NPD6703 Approved
0.6139 Remote Similarity NPD6702 Approved
0.6129 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6129 Remote Similarity NPD3617 Approved
0.6122 Remote Similarity NPD8308 Discontinued
0.6122 Remote Similarity NPD5279 Phase 3
0.6118 Remote Similarity NPD7909 Approved
0.6111 Remote Similarity NPD5141 Approved
0.6105 Remote Similarity NPD5369 Approved
0.61 Remote Similarity NPD6101 Approved
0.61 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6095 Remote Similarity NPD4225 Approved
0.6091 Remote Similarity NPD6686 Approved
0.6078 Remote Similarity NPD5779 Approved
0.6078 Remote Similarity NPD5778 Approved

Structure

External Identifiers

PubChem CID   71578805
ChEMBL   CHEMBL2337583
ZINC  

Physicochemical Properties

Molecular Weight:  392.26
ALogP:  -0.4975
MLogP:  3.44
XLogP:  3.414
# Rotatable Bonds:  10
Polar Surface Area:  72.83
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  28

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
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