Natural Product: NPC113433

Natural Product ID:  NPC113433
Common Name:   Euphorbiaproliferin A
IUPAC Name:  
Synonyms:   Euphorbiaproliferin A
Molecular Formula:   C39H56O15
Standard InCHIKey:  SKVOKCRGVKYGQI-RHCYJGMYSA-N
Standard InCHI:  InChI=1S/C39H56O15/c1-14-27(44)50-30-28-31(49-22(7)41)38-18-47-37(13,29(38)25(35(10,11)52-23(8)42)15-16-26(38)48-21(6)40)34(51-32(45)19(2)3)39(28,53-24(9)43)17-36(30,12)54-33(46)20(4)5/h15-16,19-20,25-26,28-31,34H,14,17-18H2,1-13H3/t25-,26+,28+,29-,30+,31+,34+,36+,37+,38+,39+/m0/s1
Canonical SMILES:  CCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(=O)C)[C@]34CO[C@@]([C@H]([C@]2(C[C@@]1(C)OC(=O)C(C)C)OC(=O)C)OC(=O)C(C)C)([C@@H]4[C@H](C=C[C@H]3OC(=O)C)C(OC(=O)C)(C)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
NPO12377 Euphorbia prolifera Species Euphorbiaceae Eukaryota Roots Kunming, Yunnan Province, China 2010-JUL PMID[21928782]
NPO12377 Euphorbia prolifera Species Euphorbiaceae Eukaryota Root PMID[21928782]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT519 Cell Line SH-SY5Y Homo sapiens Activity = 75.1 % 21928782
NPT519 Cell Line SH-SY5Y Homo sapiens Activity = 83.5 % 21928782
NPT519 Cell Line SH-SY5Y Homo sapiens Activity = 92.7 % 21928782

  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 NPC113433 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
0.9556 High Similarity NPC281775
0.8235 Intermediate Similarity NPC291643
0.8119 Intermediate Similarity NPC78127
0.8119 Intermediate Similarity NPC471757
0.81 Intermediate Similarity NPC13743
0.81 Intermediate Similarity NPC98813
0.8041 Intermediate Similarity NPC470187
0.7979 Intermediate Similarity NPC137253
0.7944 Intermediate Similarity NPC241477
0.7941 Intermediate Similarity NPC214714
0.7941 Intermediate Similarity NPC200672
0.7885 Intermediate Similarity NPC475290
0.7843 Intermediate Similarity NPC26557
0.7822 Intermediate Similarity NPC79449
0.7822 Intermediate Similarity NPC474957
0.7788 Intermediate Similarity NPC473577
0.7788 Intermediate Similarity NPC475585
0.7788 Intermediate Similarity NPC474550
0.7778 Intermediate Similarity NPC472467
0.7767 Intermediate Similarity NPC475956
0.7767 Intermediate Similarity NPC49393
0.7767 Intermediate Similarity NPC105725
0.7767 Intermediate Similarity NPC252242
0.7757 Intermediate Similarity NPC15551
0.7732 Intermediate Similarity NPC283409
0.7723 Intermediate Similarity NPC347923
0.7723 Intermediate Similarity NPC476057
0.7714 Intermediate Similarity NPC469960
0.7714 Intermediate Similarity NPC93026
0.7714 Intermediate Similarity NPC265502
0.7714 Intermediate Similarity NPC29389
0.77 Intermediate Similarity NPC240838
0.7692 Intermediate Similarity NPC474783
0.7692 Intermediate Similarity NPC260809
0.7692 Intermediate Similarity NPC232515
0.7685 Intermediate Similarity NPC71680
0.767 Intermediate Similarity NPC298233
0.7647 Intermediate Similarity NPC274458
0.7642 Intermediate Similarity NPC472263
0.7642 Intermediate Similarity NPC108682
0.7642 Intermediate Similarity NPC469959
0.7642 Intermediate Similarity NPC470192
0.7642 Intermediate Similarity NPC469957
0.7636 Intermediate Similarity NPC43213
0.7629 Intermediate Similarity NPC471149
0.7624 Intermediate Similarity NPC213078
0.7619 Intermediate Similarity NPC80809
0.7619 Intermediate Similarity NPC201144
0.7619 Intermediate Similarity NPC181104
0.7619 Intermediate Similarity NPC103298
0.7619 Intermediate Similarity NPC288502
0.7619 Intermediate Similarity NPC121518
0.7619 Intermediate Similarity NPC475335
0.7619 Intermediate Similarity NPC475331
0.7596 Intermediate Similarity NPC475986
0.7576 Intermediate Similarity NPC472468
0.7573 Intermediate Similarity NPC79631
0.7549 Intermediate Similarity NPC182811
0.7549 Intermediate Similarity NPC161493
0.7547 Intermediate Similarity NPC60315
0.7545 Intermediate Similarity NPC101400
0.7545 Intermediate Similarity NPC101965
0.7545 Intermediate Similarity NPC287075
0.7527 Intermediate Similarity NPC472470
0.7526 Intermediate Similarity NPC24728
0.7525 Intermediate Similarity NPC224689
0.7525 Intermediate Similarity NPC67584
0.7524 Intermediate Similarity NPC475334
0.7524 Intermediate Similarity NPC475623
0.7524 Intermediate Similarity NPC473694
0.75 Intermediate Similarity NPC475274
0.75 Intermediate Similarity NPC472874
0.7477 Intermediate Similarity NPC26617
0.7477 Intermediate Similarity NPC305044
0.7477 Intermediate Similarity NPC216665
0.7477 Intermediate Similarity NPC265290
0.7477 Intermediate Similarity NPC475781
0.7476 Intermediate Similarity NPC470188
0.7476 Intermediate Similarity NPC65700
0.7475 Intermediate Similarity NPC472466
0.7455 Intermediate Similarity NPC313921
0.7455 Intermediate Similarity NPC477093
0.7455 Intermediate Similarity NPC475277
0.7455 Intermediate Similarity NPC98038
0.7455 Intermediate Similarity NPC473522
0.7453 Intermediate Similarity NPC169843
0.7453 Intermediate Similarity NPC473543
0.7451 Intermediate Similarity NPC18019
0.7451 Intermediate Similarity NPC475304
0.7451 Intermediate Similarity NPC24956
0.7449 Intermediate Similarity NPC470613
0.7449 Intermediate Similarity NPC470612
0.7431 Intermediate Similarity NPC181298
0.7429 Intermediate Similarity NPC475344
0.7429 Intermediate Similarity NPC476471
0.7426 Intermediate Similarity NPC127019
0.7423 Intermediate Similarity NPC477668
0.7411 Intermediate Similarity NPC470793
0.74 Intermediate Similarity NPC221282
0.7396 Intermediate Similarity NPC154893
0.7396 Intermediate Similarity NPC16887
0.7396 Intermediate Similarity NPC53011
0.7396 Intermediate Similarity NPC37005
0.7391 Intermediate Similarity NPC186109
0.7383 Intermediate Similarity NPC54737
0.7383 Intermediate Similarity NPC470980
0.7374 Intermediate Similarity NPC472872
0.7364 Intermediate Similarity NPC475495
0.7358 Intermediate Similarity NPC474775
0.7358 Intermediate Similarity NPC473523
0.7358 Intermediate Similarity NPC280566
0.7358 Intermediate Similarity NPC474124
0.7358 Intermediate Similarity NPC4620
0.7358 Intermediate Similarity NPC124881
0.7353 Intermediate Similarity NPC472873
0.7353 Intermediate Similarity NPC220221
0.7353 Intermediate Similarity NPC52044
0.7353 Intermediate Similarity NPC213698
0.7347 Intermediate Similarity NPC476600
0.7347 Intermediate Similarity NPC316629
0.7345 Intermediate Similarity NPC36754
0.734 Intermediate Similarity NPC474739
0.7339 Intermediate Similarity NPC139838
0.7339 Intermediate Similarity NPC59489
0.7333 Intermediate Similarity NPC150923
0.7333 Intermediate Similarity NPC471767
0.7315 Intermediate Similarity NPC471601
0.7308 Intermediate Similarity NPC221615
0.7304 Intermediate Similarity NPC4548
0.7304 Intermediate Similarity NPC474585
0.7297 Intermediate Similarity NPC471570
0.7297 Intermediate Similarity NPC126691
0.7292 Intermediate Similarity NPC471340
0.729 Intermediate Similarity NPC220964
0.729 Intermediate Similarity NPC475676
0.7282 Intermediate Similarity NPC475178
0.7282 Intermediate Similarity NPC98165
0.7281 Intermediate Similarity NPC475372
0.7281 Intermediate Similarity NPC161060
0.7273 Intermediate Similarity NPC471884
0.7273 Intermediate Similarity NPC238850
0.7264 Intermediate Similarity NPC183571
0.7264 Intermediate Similarity NPC250594
0.7264 Intermediate Similarity NPC470972
0.7255 Intermediate Similarity NPC470013
0.7255 Intermediate Similarity NPC262133
0.7255 Intermediate Similarity NPC198853
0.7255 Intermediate Similarity NPC323008
0.7255 Intermediate Similarity NPC477131
0.7255 Intermediate Similarity NPC470010
0.7255 Intermediate Similarity NPC39453
0.7248 Intermediate Similarity NPC308191
0.7248 Intermediate Similarity NPC55972
0.7248 Intermediate Similarity NPC327286
0.7248 Intermediate Similarity NPC169888
0.7245 Intermediate Similarity NPC64153
0.7238 Intermediate Similarity NPC472187
0.7238 Intermediate Similarity NPC130792
0.7238 Intermediate Similarity NPC186861
0.7238 Intermediate Similarity NPC274643
0.7238 Intermediate Similarity NPC473545
0.7228 Intermediate Similarity NPC63193
0.7228 Intermediate Similarity NPC249034
0.7228 Intermediate Similarity NPC133888
0.7228 Intermediate Similarity NPC66504
0.7228 Intermediate Similarity NPC293001
0.7228 Intermediate Similarity NPC171360
0.7228 Intermediate Similarity NPC29821
0.7228 Intermediate Similarity NPC57304
0.7228 Intermediate Similarity NPC35959
0.7228 Intermediate Similarity NPC133698
0.7222 Intermediate Similarity NPC475802
0.7222 Intermediate Similarity NPC220217
0.7222 Intermediate Similarity NPC9303
0.7222 Intermediate Similarity NPC119855
0.7222 Intermediate Similarity NPC16313
0.7222 Intermediate Similarity NPC223450
0.7217 Intermediate Similarity NPC312536
0.7217 Intermediate Similarity NPC5292
0.7212 Intermediate Similarity NPC254121
0.7212 Intermediate Similarity NPC477949
0.7212 Intermediate Similarity NPC471150
0.7207 Intermediate Similarity NPC287311
0.7207 Intermediate Similarity NPC474750
0.72 Intermediate Similarity NPC4986
0.7196 Intermediate Similarity NPC19239
0.7196 Intermediate Similarity NPC69171
0.7196 Intermediate Similarity NPC183570
0.7196 Intermediate Similarity NPC474165
0.7196 Intermediate Similarity NPC474166
0.7193 Intermediate Similarity NPC475305
0.7184 Intermediate Similarity NPC281134
0.7184 Intermediate Similarity NPC167893
0.7184 Intermediate Similarity NPC170120
0.7182 Intermediate Similarity NPC5475
0.7182 Intermediate Similarity NPC15218
0.7182 Intermediate Similarity NPC472216
0.7182 Intermediate Similarity NPC173905
0.7182 Intermediate Similarity NPC284828
0.7182 Intermediate Similarity NPC477102

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC113433 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
0.7477 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD4251 Approved
0.7347 Intermediate Similarity NPD4250 Approved
0.7245 Intermediate Similarity NPD4249 Approved
0.72 Intermediate Similarity NPD1695 Approved
0.703 Intermediate Similarity NPD6051 Approved
0.6991 Remote Similarity NPD6053 Discontinued
0.6979 Remote Similarity NPD4819 Approved
0.6979 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6979 Remote Similarity NPD4822 Approved
0.6979 Remote Similarity NPD4821 Approved
0.6979 Remote Similarity NPD4820 Approved
0.6964 Remote Similarity NPD6371 Approved
0.6961 Remote Similarity NPD7838 Discovery
0.6949 Remote Similarity NPD8033 Approved
0.68 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6771 Remote Similarity NPD4271 Approved
0.6771 Remote Similarity NPD4268 Approved
0.6723 Remote Similarity NPD8377 Approved
0.6723 Remote Similarity NPD8294 Approved
0.6695 Remote Similarity NPD7328 Approved
0.6695 Remote Similarity NPD7327 Approved
0.6667 Remote Similarity NPD8296 Approved
0.6667 Remote Similarity NPD8380 Approved
0.6667 Remote Similarity NPD8335 Approved
0.6667 Remote Similarity NPD8379 Approved
0.6667 Remote Similarity NPD7503 Approved
0.6667 Remote Similarity NPD8378 Approved
0.6639 Remote Similarity NPD7516 Approved
0.6635 Remote Similarity NPD6698 Approved
0.6635 Remote Similarity NPD46 Approved
0.6607 Remote Similarity NPD6008 Approved
0.66 Remote Similarity NPD5362 Discontinued
0.6571 Remote Similarity NPD7637 Suspended
0.6514 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6514 Remote Similarity NPD7638 Approved
0.65 Remote Similarity NPD6435 Approved
0.6476 Remote Similarity NPD5785 Approved
0.6466 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6455 Remote Similarity NPD7639 Approved
0.6455 Remote Similarity NPD7640 Approved
0.6455 Remote Similarity NPD6648 Approved
0.6452 Remote Similarity NPD7507 Approved
0.6436 Remote Similarity NPD5332 Approved
0.6436 Remote Similarity NPD5331 Approved
0.6415 Remote Similarity NPD7983 Approved
0.641 Remote Similarity NPD8297 Approved
0.64 Remote Similarity NPD4790 Discontinued
0.6396 Remote Similarity NPD5344 Discontinued
0.6389 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6373 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6371 Remote Similarity NPD7492 Approved
0.6349 Remote Similarity NPD7736 Approved
0.6348 Remote Similarity NPD6686 Approved
0.6346 Remote Similarity NPD7524 Approved
0.632 Remote Similarity NPD6616 Approved
0.6311 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6311 Remote Similarity NPD6054 Approved
0.6311 Remote Similarity NPD6319 Approved
0.63 Remote Similarity NPD5368 Approved
0.6299 Remote Similarity NPD7319 Approved
0.6289 Remote Similarity NPD8039 Approved
0.6286 Remote Similarity NPD6903 Approved
0.6275 Remote Similarity NPD6695 Phase 3
0.6275 Remote Similarity NPD7154 Phase 3
0.627 Remote Similarity NPD7078 Approved
0.627 Remote Similarity NPD8293 Discontinued
0.6263 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6262 Remote Similarity NPD5693 Phase 1
0.625 Remote Similarity NPD6684 Approved
0.625 Remote Similarity NPD6409 Approved
0.625 Remote Similarity NPD5330 Approved
0.625 Remote Similarity NPD7521 Approved
0.625 Remote Similarity NPD7334 Approved
0.625 Remote Similarity NPD7146 Approved
0.6239 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6238 Remote Similarity NPD5369 Approved
0.6216 Remote Similarity NPD4225 Approved
0.621 Remote Similarity NPD6370 Approved
0.6204 Remote Similarity NPD6399 Phase 3
0.6198 Remote Similarity NPD7115 Discovery
0.619 Remote Similarity NPD7750 Discontinued
0.6182 Remote Similarity NPD4792 Clinical (unspecified phase)
0.6179 Remote Similarity NPD6059 Approved
0.6176 Remote Similarity NPD4270 Approved
0.6176 Remote Similarity NPD4269 Approved
0.6168 Remote Similarity NPD5207 Approved
0.6154 Remote Similarity NPD1694 Approved
0.6147 Remote Similarity NPD5282 Discontinued
0.6132 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6129 Remote Similarity NPD6016 Approved
0.6129 Remote Similarity NPD8517 Approved
0.6129 Remote Similarity NPD8516 Approved
0.6129 Remote Similarity NPD8515 Approved
0.6129 Remote Similarity NPD8513 Phase 3
0.6129 Remote Similarity NPD6015 Approved
0.6126 Remote Similarity NPD6084 Phase 2
0.6126 Remote Similarity NPD6083 Phase 2
0.6121 Remote Similarity NPD6412 Phase 2
0.6121 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6095 Remote Similarity NPD5786 Approved
0.6095 Remote Similarity NPD6098 Approved
0.6091 Remote Similarity NPD5695 Phase 3
0.6083 Remote Similarity NPD4632 Approved
0.6083 Remote Similarity NPD8133 Approved
0.608 Remote Similarity NPD5988 Approved
0.6075 Remote Similarity NPD6080 Approved
0.6075 Remote Similarity NPD6904 Approved
0.6075 Remote Similarity NPD6673 Approved
0.6068 Remote Similarity NPD7320 Approved
0.6068 Remote Similarity NPD6899 Approved
0.6068 Remote Similarity NPD6881 Approved
0.6055 Remote Similarity NPD5778 Approved
0.6055 Remote Similarity NPD5779 Approved
0.605 Remote Similarity NPD6650 Approved
0.605 Remote Similarity NPD8130 Phase 1
0.605 Remote Similarity NPD6649 Approved
0.6034 Remote Similarity NPD6402 Approved
0.6034 Remote Similarity NPD7128 Approved
0.6034 Remote Similarity NPD5739 Approved
0.6034 Remote Similarity NPD6675 Approved
0.6019 Remote Similarity NPD5209 Approved
0.6019 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6017 Remote Similarity NPD6373 Approved
0.6017 Remote Similarity NPD6372 Approved
0.6 Remote Similarity NPD6882 Approved
0.6 Remote Similarity NPD5363 Approved
0.5983 Remote Similarity NPD5697 Approved
0.5981 Remote Similarity NPD5737 Approved
0.5981 Remote Similarity NPD6672 Approved
0.598 Remote Similarity NPD6930 Phase 2
0.598 Remote Similarity NPD4252 Approved
0.598 Remote Similarity NPD7514 Phase 3
0.598 Remote Similarity NPD6931 Approved
0.5966 Remote Similarity NPD7290 Approved
0.5966 Remote Similarity NPD7102 Approved
0.5966 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5966 Remote Similarity NPD6883 Approved
0.5963 Remote Similarity NPD6050 Approved
0.5963 Remote Similarity NPD5694 Approved
0.5935 Remote Similarity NPD6009 Approved
0.5929 Remote Similarity NPD5696 Approved
0.5917 Remote Similarity NPD6869 Approved
0.5917 Remote Similarity NPD6617 Approved
0.5917 Remote Similarity NPD6847 Approved
0.5914 Remote Similarity NPD5325 Clinical (unspecified phase)
0.5913 Remote Similarity NPD7632 Discontinued
0.5906 Remote Similarity NPD7604 Phase 2
0.5905 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5891 Remote Similarity NPD8074 Phase 3
0.5888 Remote Similarity NPD4751 Clinical (unspecified phase)
0.5882 Remote Similarity NPD6013 Approved
0.5882 Remote Similarity NPD6012 Approved
0.5882 Remote Similarity NPD6929 Approved
0.5882 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5882 Remote Similarity NPD6014 Approved
0.5873 Remote Similarity NPD5983 Phase 2
0.5872 Remote Similarity NPD5692 Phase 3
0.5856 Remote Similarity NPD6001 Approved
0.5851 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5847 Remote Similarity NPD5701 Approved
0.5847 Remote Similarity NPD6685 Approved
0.5842 Remote Similarity NPD6932 Approved
0.5833 Remote Similarity NPD5208 Approved
0.5833 Remote Similarity NPD7260 Phase 2
0.5825 Remote Similarity NPD7332 Phase 2
0.5818 Remote Similarity NPD7087 Discontinued
0.5818 Remote Similarity NPD6411 Approved
0.5818 Remote Similarity NPD5281 Approved
0.5818 Remote Similarity NPD5284 Approved
0.5814 Remote Similarity NPD8273 Phase 1
0.5814 Remote Similarity NPD6336 Discontinued
0.5798 Remote Similarity NPD6011 Approved
0.5784 Remote Similarity NPD7145 Approved
0.5769 Remote Similarity NPD6902 Approved
0.5758 Remote Similarity NPD5956 Approved
0.5752 Remote Similarity NPD7839 Suspended
0.5743 Remote Similarity NPD6933 Approved
0.5726 Remote Similarity NPD6052 Approved
0.5725 Remote Similarity NPD6033 Approved
0.5702 Remote Similarity NPD4634 Approved
0.5701 Remote Similarity NPD6893 Approved
0.57 Remote Similarity NPD6926 Approved
0.57 Remote Similarity NPD6924 Approved
0.57 Remote Similarity NPD4785 Approved
0.57 Remote Similarity NPD4784 Approved
0.5686 Remote Similarity NPD5776 Phase 2
0.5686 Remote Similarity NPD6925 Approved
0.5672 Remote Similarity NPD6845 Suspended
0.5667 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5659 Remote Similarity NPD6067 Discontinued
0.5656 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5641 Remote Similarity NPD5211 Phase 2
0.5636 Remote Similarity NPD4753 Phase 2
0.5636 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5636 Remote Similarity NPD6101 Approved
0.561 Remote Similarity NPD6912 Phase 3
0.5607 Remote Similarity NPD4786 Approved
0.5607 Remote Similarity NPD5766 Clinical (unspecified phase)
0.5606 Remote Similarity NPD8336 Approved

Structure

External Identifiers

PubChem CID   56601083
ChEMBL   CHEMBL1927830
ZINC  

Physicochemical Properties

Molecular Weight:  764.36
ALogP:  0.92
MLogP:  4.1
XLogP:  4.426
# Rotatable Bonds:  31
Polar Surface Area:  193.33
# H-Bond Aceptor:  15
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  54

Download Data

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Structure MOL file  
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Biological Activities  
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