Natural Product: NPC476256

Natural Product ID:  NPC476256
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C41H46N2O9
Standard InCHIKey:  VSMAWIKGSRDJKQ-YRJGORBASA-N
Standard InCHI:  InChI=1S/C41H46N2O9/c1-8-21(2)37(47)50-20-25-18-28-32-29(39(32,6)7)17-23(4)40(33(28)45)19-22(3)34(41(40,49)35(25)51-24(5)44)52-38(48)27-14-10-12-16-31(27)43-36(46)26-13-9-11-15-30(26)42/h8-16,18-19,23,28-29,32,34-35,49H,17,20,42H2,1-7H3,(H,43,46)/b21-8+/t23-,28+,29-,32+,34+,35-,40+,41-/m1/s1
Canonical SMILES:  C/C=C(/C(=O)OCC1=C[C@H]2[C@H]3[C@H](C3(C)C)C[C@H]([C@]3([C@@]([C@@H]1OC(=O)C)(O)[C@@H](OC(=O)c1ccccc1N=C(c1ccccc1N)O)C(=C3)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
NPO422 Euphorbia cornigera Species Euphorbiaceae Eukaryota PMID[19376614]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3469 Organism Biomphalaria glabrata Biomphalaria glabrata LC50 = 0.0125 ug/ml 8691213

  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 NPC476256 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 NPC259791
1.0 High Similarity NPC476212
1.0 High Similarity NPC476129
1.0 High Similarity NPC476206
1.0 High Similarity NPC476207
1.0 High Similarity NPC476205
1.0 High Similarity NPC476257
0.9942 High Similarity NPC476218
0.9942 High Similarity NPC108804
0.8229 Intermediate Similarity NPC136573
0.8229 Intermediate Similarity NPC176371
0.822 Intermediate Similarity NPC90358
0.822 Intermediate Similarity NPC107828
0.8105 Intermediate Similarity NPC198205
0.8105 Intermediate Similarity NPC21483
0.8073 Intermediate Similarity NPC311054
0.8073 Intermediate Similarity NPC112752
0.8021 Intermediate Similarity NPC198390
0.7803 Intermediate Similarity NPC134131
0.7803 Intermediate Similarity NPC25043
0.755 Intermediate Similarity NPC475223
0.7512 Intermediate Similarity NPC246983
0.7512 Intermediate Similarity NPC475448
0.7341 Intermediate Similarity NPC52523
0.7341 Intermediate Similarity NPC217673
0.729 Intermediate Similarity NPC473667
0.7243 Intermediate Similarity NPC106593
0.7222 Intermediate Similarity NPC453583
0.7222 Intermediate Similarity NPC473300
0.7222 Intermediate Similarity NPC475336
0.7186 Intermediate Similarity NPC67246
0.7186 Intermediate Similarity NPC33372
0.7183 Intermediate Similarity NPC223590
0.7175 Intermediate Similarity NPC242355
0.7164 Intermediate Similarity NPC321072
0.7164 Intermediate Similarity NPC215892
0.7164 Intermediate Similarity NPC242662
0.7164 Intermediate Similarity NPC191193
0.715 Intermediate Similarity NPC140311
0.7143 Intermediate Similarity NPC476467
0.7136 Intermediate Similarity NPC317882
0.7136 Intermediate Similarity NPC471754
0.7135 Intermediate Similarity NPC11410
0.7129 Intermediate Similarity NPC471606
0.7129 Intermediate Similarity NPC208553
0.7129 Intermediate Similarity NPC181964
0.712 Intermediate Similarity NPC477100
0.712 Intermediate Similarity NPC477098
0.7097 Intermediate Similarity NPC233727
0.7094 Intermediate Similarity NPC473490
0.7094 Intermediate Similarity NPC473558
0.7089 Intermediate Similarity NPC473837
0.7062 Intermediate Similarity NPC473301
0.7056 Intermediate Similarity NPC187494
0.705 Intermediate Similarity NPC275170
0.705 Intermediate Similarity NPC473400
0.705 Intermediate Similarity NPC206211
0.705 Intermediate Similarity NPC306001
0.705 Intermediate Similarity NPC471629
0.705 Intermediate Similarity NPC324251
0.7049 Intermediate Similarity NPC25484
0.7049 Intermediate Similarity NPC232583
0.7042 Intermediate Similarity NPC193361
0.7042 Intermediate Similarity NPC62844
0.7035 Intermediate Similarity NPC327699
0.7033 Intermediate Similarity NPC132652
0.7033 Intermediate Similarity NPC205389
0.7032 Intermediate Similarity NPC14116
0.7032 Intermediate Similarity NPC285411
0.7029 Intermediate Similarity NPC153617
0.7027 Intermediate Similarity NPC114808
0.7 Intermediate Similarity NPC134384
0.7 Intermediate Similarity NPC311196
0.6981 Remote Similarity NPC323551
0.6981 Remote Similarity NPC280473
0.6977 Remote Similarity NPC122235
0.6973 Remote Similarity NPC22571
0.6973 Remote Similarity NPC283875
0.6973 Remote Similarity NPC469648
0.6973 Remote Similarity NPC138641
0.6973 Remote Similarity NPC233581
0.6973 Remote Similarity NPC145649
0.6973 Remote Similarity NPC469647
0.6957 Remote Similarity NPC477099
0.6957 Remote Similarity NPC477101
0.6957 Remote Similarity NPC477097
0.6951 Remote Similarity NPC238278
0.6948 Remote Similarity NPC51008
0.6948 Remote Similarity NPC41724
0.6944 Remote Similarity NPC192658
0.6942 Remote Similarity NPC472392
0.6932 Remote Similarity NPC28836
0.6927 Remote Similarity NPC316202
0.6927 Remote Similarity NPC162613
0.6927 Remote Similarity NPC87934
0.6927 Remote Similarity NPC476749
0.6923 Remote Similarity NPC289383
0.6915 Remote Similarity NPC471623
0.6914 Remote Similarity NPC233860
0.6908 Remote Similarity NPC472391
0.6906 Remote Similarity NPC95449
0.6906 Remote Similarity NPC45307
0.6906 Remote Similarity NPC82467
0.6898 Remote Similarity NPC251139
0.689 Remote Similarity NPC116862
0.6889 Remote Similarity NPC474303
0.6889 Remote Similarity NPC473497
0.6889 Remote Similarity NPC475413
0.6889 Remote Similarity NPC266374
0.6889 Remote Similarity NPC187566
0.6885 Remote Similarity NPC477095
0.6875 Remote Similarity NPC472248
0.6872 Remote Similarity NPC9905
0.6868 Remote Similarity NPC34943
0.6866 Remote Similarity NPC216428
0.6864 Remote Similarity NPC477902
0.686 Remote Similarity NPC472375
0.6851 Remote Similarity NPC314287
0.6837 Remote Similarity NPC9475
0.6836 Remote Similarity NPC311492
0.683 Remote Similarity NPC213143
0.6828 Remote Similarity NPC472398
0.682 Remote Similarity NPC62367
0.682 Remote Similarity NPC319556
0.6818 Remote Similarity NPC233692
0.6818 Remote Similarity NPC239358
0.6816 Remote Similarity NPC327511
0.6816 Remote Similarity NPC205305
0.6816 Remote Similarity NPC27721
0.6806 Remote Similarity NPC189116
0.6802 Remote Similarity NPC211920
0.6802 Remote Similarity NPC475601
0.6802 Remote Similarity NPC124029
0.6798 Remote Similarity NPC200154
0.6793 Remote Similarity NPC240115
0.6793 Remote Similarity NPC170668
0.6793 Remote Similarity NPC20255
0.6791 Remote Similarity NPC165837
0.6789 Remote Similarity NPC84815
0.6789 Remote Similarity NPC301368
0.6786 Remote Similarity NPC96801
0.6786 Remote Similarity NPC150698
0.6782 Remote Similarity NPC316405
0.6778 Remote Similarity NPC53361
0.6778 Remote Similarity NPC276652
0.6778 Remote Similarity NPC121268
0.6776 Remote Similarity NPC470189
0.6776 Remote Similarity NPC40919
0.6774 Remote Similarity NPC471016
0.6774 Remote Similarity NPC125033
0.6771 Remote Similarity NPC55744
0.677 Remote Similarity NPC35208
0.677 Remote Similarity NPC475426
0.676 Remote Similarity NPC202729
0.6758 Remote Similarity NPC183540
0.6754 Remote Similarity NPC476750
0.6744 Remote Similarity NPC226794
0.6742 Remote Similarity NPC324898
0.6742 Remote Similarity NPC298547
0.6742 Remote Similarity NPC134937
0.6742 Remote Similarity NPC250807
0.6742 Remote Similarity NPC76565
0.6742 Remote Similarity NPC57797
0.674 Remote Similarity NPC475660
0.6739 Remote Similarity NPC125882
0.6739 Remote Similarity NPC92867
0.6739 Remote Similarity NPC311825
0.6734 Remote Similarity NPC475962
0.6729 Remote Similarity NPC314834
0.6728 Remote Similarity NPC42678
0.6728 Remote Similarity NPC470306
0.6728 Remote Similarity NPC477907
0.6728 Remote Similarity NPC207531
0.6728 Remote Similarity NPC477909
0.6727 Remote Similarity NPC477912
0.6726 Remote Similarity NPC476110
0.6726 Remote Similarity NPC87152
0.6726 Remote Similarity NPC228377
0.6726 Remote Similarity NPC477787
0.6726 Remote Similarity NPC328186
0.6726 Remote Similarity NPC475600
0.6726 Remote Similarity NPC122968
0.6726 Remote Similarity NPC475631
0.6725 Remote Similarity NPC253482
0.6722 Remote Similarity NPC86772
0.6721 Remote Similarity NPC477094
0.6721 Remote Similarity NPC191387
0.6721 Remote Similarity NPC153214
0.6721 Remote Similarity NPC131966
0.6721 Remote Similarity NPC477096
0.672 Remote Similarity NPC93343
0.6714 Remote Similarity NPC470190
0.6712 Remote Similarity NPC475137
0.6712 Remote Similarity NPC475498
0.6712 Remote Similarity NPC473850
0.6711 Remote Similarity NPC477906
0.6705 Remote Similarity NPC316746
0.6704 Remote Similarity NPC79699
0.6704 Remote Similarity NPC472247
0.6704 Remote Similarity NPC279637

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476256 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
0.7129 Intermediate Similarity NPD8485 Approved
0.7081 Intermediate Similarity NPD2672 Discontinued
0.7024 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7015 Intermediate Similarity NPD8146 Phase 2
0.7 Intermediate Similarity NPD8360 Approved
0.7 Intermediate Similarity NPD8361 Approved
0.6985 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6915 Remote Similarity NPD8435 Approved
0.6898 Remote Similarity NPD2836 Approved
0.6875 Remote Similarity NPD2821 Approved
0.6829 Remote Similarity NPD7880 Clinical (unspecified phase)
0.6811 Remote Similarity NPD2737 Clinical (unspecified phase)
0.6796 Remote Similarity NPD6414 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7546 Discontinued
0.6667 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6651 Remote Similarity NPD6874 Approved
0.6635 Remote Similarity NPD5848 Clinical (unspecified phase)
0.6634 Remote Similarity NPD8407 Phase 2
0.6605 Remote Similarity NPD4506 Discontinued
0.6597 Remote Similarity NPD3812 Clinical (unspecified phase)
0.6578 Remote Similarity NPD4888 Discontinued
0.6576 Remote Similarity NPD1625 Approved
0.6567 Remote Similarity NPD8368 Discontinued
0.6488 Remote Similarity NPD6793 Clinical (unspecified phase)
0.6484 Remote Similarity NPD3795 Approved
0.6484 Remote Similarity NPD3794 Approved
0.6477 Remote Similarity NPD1593 Approved
0.6455 Remote Similarity NPD4513 Discontinued
0.6442 Remote Similarity NPD7570 Approved
0.6442 Remote Similarity NPD5937 Approved
0.6442 Remote Similarity NPD7569 Approved
0.642 Remote Similarity NPD1574 Approved
0.6418 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6418 Remote Similarity NPD8006 Clinical (unspecified phase)
0.6408 Remote Similarity NPD8150 Discontinued
0.6406 Remote Similarity NPD1514 Discontinued
0.6383 Remote Similarity NPD4607 Approved
0.6368 Remote Similarity NPD7878 Phase 2
0.6364 Remote Similarity NPD8462 Phase 1
0.6359 Remote Similarity NPD3154 Approved
0.6359 Remote Similarity NPD6296 Discontinued
0.6359 Remote Similarity NPD3170 Approved
0.6359 Remote Similarity NPD3153 Approved
0.6359 Remote Similarity NPD1626 Approved
0.6351 Remote Similarity NPD5411 Discontinued
0.6351 Remote Similarity NPD6722 Clinical (unspecified phase)
0.6349 Remote Similarity NPD6758 Approved
0.6345 Remote Similarity NPD5430 Discontinued
0.6344 Remote Similarity NPD1189 Approved
0.6338 Remote Similarity NPD7565 Approved
0.6337 Remote Similarity NPD3965 Phase 1
0.6329 Remote Similarity NPD4948 Discontinued
0.6323 Remote Similarity NPD8404 Phase 2
0.6321 Remote Similarity NPD3684 Discontinued
0.6321 Remote Similarity NPD5003 Discontinued
0.6321 Remote Similarity NPD7238 Clinical (unspecified phase)
0.6316 Remote Similarity NPD7528 Approved
0.6303 Remote Similarity NPD7256 Discontinued
0.6298 Remote Similarity NPD2792 Approved
0.6298 Remote Similarity NPD1898 Discontinued
0.6296 Remote Similarity NPD6176 Phase 1
0.6292 Remote Similarity NPD9567 Approved
0.6292 Remote Similarity NPD553 Approved
0.6292 Remote Similarity NPD552 Approved
0.6289 Remote Similarity NPD2366 Approved
0.6277 Remote Similarity NPD8067 Phase 3
0.6277 Remote Similarity NPD2387 Approved
0.6269 Remote Similarity NPD5086 Approved
0.625 Remote Similarity NPD8327 Clinical (unspecified phase)
0.625 Remote Similarity NPD3949 Clinical (unspecified phase)
0.625 Remote Similarity NPD6287 Discontinued
0.625 Remote Similarity NPD7795 Phase 2
0.625 Remote Similarity NPD8325 Phase 3
0.625 Remote Similarity NPD8326 Phase 3
0.6244 Remote Similarity NPD4979 Clinical (unspecified phase)
0.6244 Remote Similarity NPD6104 Discontinued
0.6243 Remote Similarity NPD6185 Discontinued
0.6243 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6239 Remote Similarity NPD3280 Approved
0.6234 Remote Similarity NPD8468 Phase 2
0.6224 Remote Similarity NPD7599 Phase 2
0.6218 Remote Similarity NPD3399 Approved
0.6215 Remote Similarity NPD4668 Phase 2
0.6211 Remote Similarity NPD4041 Approved
0.6207 Remote Similarity NPD7799 Discontinued
0.6204 Remote Similarity NPD7476 Discontinued
0.6203 Remote Similarity NPD9477 Approved
0.6203 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6193 Remote Similarity NPD7600 Phase 2
0.6188 Remote Similarity NPD7997 Clinical (unspecified phase)
0.6186 Remote Similarity NPD5811 Approved
0.6183 Remote Similarity NPD1109 Approved
0.6183 Remote Similarity NPD1110 Approved
0.6182 Remote Similarity NPD2510 Approved
0.6182 Remote Similarity NPD2509 Approved
0.6178 Remote Similarity NPD3352 Approved
0.6176 Remote Similarity NPD6642 Approved
0.6176 Remote Similarity NPD6641 Approved
0.6175 Remote Similarity NPD6863 Phase 2
0.6175 Remote Similarity NPD1874 Clinical (unspecified phase)
0.6171 Remote Similarity NPD5416 Discontinued
0.617 Remote Similarity NPD2923 Approved
0.6166 Remote Similarity NPD1230 Approved
0.6166 Remote Similarity NPD7670 Clinical (unspecified phase)
0.6162 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6161 Remote Similarity NPD5042 Phase 1
0.6158 Remote Similarity NPD5466 Approved
0.6154 Remote Similarity NPD6163 Clinical (unspecified phase)
0.615 Remote Similarity NPD8003 Clinical (unspecified phase)
0.615 Remote Similarity NPD8002 Clinical (unspecified phase)
0.6146 Remote Similarity NPD8304 Clinical (unspecified phase)
0.6146 Remote Similarity NPD8389 Clinical (unspecified phase)
0.614 Remote Similarity NPD53 Approved
0.614 Remote Similarity NPD7778 Approved
0.614 Remote Similarity NPD7777 Approved
0.6133 Remote Similarity NPD3394 Approved
0.6133 Remote Similarity NPD8160 Phase 2
0.6133 Remote Similarity NPD3393 Approved
0.6133 Remote Similarity NPD3389 Approved
0.613 Remote Similarity NPD3925 Approved
0.6123 Remote Similarity NPD6770 Approved
0.6119 Remote Similarity NPD3947 Discontinued
0.6119 Remote Similarity NPD7891 Discontinued
0.6119 Remote Similarity NPD2034 Discontinued
0.6117 Remote Similarity NPD6879 Phase 2
0.6117 Remote Similarity NPD6878 Phase 2
0.6117 Remote Similarity NPD3823 Discontinued
0.6114 Remote Similarity NPD2565 Phase 2
0.6114 Remote Similarity NPD4259 Approved
0.6114 Remote Similarity NPD2564 Approved
0.6114 Remote Similarity NPD4258 Approved
0.6114 Remote Similarity NPD9509 Clinical (unspecified phase)
0.6111 Remote Similarity NPD7244 Discontinued
0.6106 Remote Similarity NPD3436 Approved
0.6105 Remote Similarity NPD2435 Approved
0.6105 Remote Similarity NPD2575 Approved
0.6103 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6101 Remote Similarity NPD6823 Phase 2
0.6099 Remote Similarity NPD7801 Approved
0.6099 Remote Similarity NPD4493 Discontinued
0.6089 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6083 Remote Similarity NPD6519 Phase 2
0.6082 Remote Similarity NPD7606 Phase 3
0.6073 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6068 Remote Similarity NPD6962 Phase 2
0.6063 Remote Similarity NPD7584 Approved
0.6061 Remote Similarity NPD4335 Clinical (unspecified phase)
0.6059 Remote Similarity NPD6870 Phase 1
0.6054 Remote Similarity NPD5182 Approved
0.6054 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6054 Remote Similarity NPD5184 Approved
0.6054 Remote Similarity NPD5185 Approved
0.6051 Remote Similarity NPD7239 Suspended
0.6051 Remote Similarity NPD4003 Phase 3
0.605 Remote Similarity NPD8008 Approved
0.605 Remote Similarity NPD955 Approved
0.605 Remote Similarity NPD8007 Approved
0.6043 Remote Similarity NPD1532 Approved
0.6043 Remote Similarity NPD2670 Approved
0.6042 Remote Similarity NPD7236 Approved
0.6038 Remote Similarity NPD5928 Phase 1
0.6037 Remote Similarity NPD5609 Approved
0.6037 Remote Similarity NPD5608 Approved
0.6036 Remote Similarity NPD4082 Approved
0.6034 Remote Similarity NPD7853 Phase 2
0.6034 Remote Similarity NPD7186 Phase 3
0.6029 Remote Similarity NPD43 Approved
0.6029 Remote Similarity NPD3953 Clinical (unspecified phase)
0.6029 Remote Similarity NPD6182 Approved
0.6029 Remote Similarity NPD3952 Approved
0.6029 Remote Similarity NPD3951 Phase 3
0.6029 Remote Similarity NPD6183 Clinical (unspecified phase)
0.6025 Remote Similarity NPD7560 Approved
0.6017 Remote Similarity NPD4373 Phase 2
0.601 Remote Similarity NPD3435 Discontinued
0.6009 Remote Similarity NPD6529 Discontinued
0.6009 Remote Similarity NPD5076 Approved
0.6009 Remote Similarity NPD5077 Approved
0.6 Remote Similarity NPD1908 Phase 2
0.6 Remote Similarity NPD5919 Clinical (unspecified phase)
0.6 Remote Similarity NPD7597 Clinical (unspecified phase)
0.5991 Remote Similarity NPD7583 Approved
0.5991 Remote Similarity NPD4987 Clinical (unspecified phase)
0.5991 Remote Similarity NPD7496 Phase 2
0.599 Remote Similarity NPD7295 Approved
0.5989 Remote Similarity NPD6007 Clinical (unspecified phase)
0.5982 Remote Similarity NPD7566 Clinical (unspecified phase)
0.5981 Remote Similarity NPD7962 Phase 2
0.5981 Remote Similarity NPD8658 Clinical (unspecified phase)
0.598 Remote Similarity NPD7114 Clinical (unspecified phase)
0.598 Remote Similarity NPD7972 Discontinued
0.5978 Remote Similarity NPD4738 Phase 2
0.5978 Remote Similarity NPD5952 Clinical (unspecified phase)
0.5972 Remote Similarity NPD8249 Clinical (unspecified phase)
0.5969 Remote Similarity NPD1195 Approved
0.5967 Remote Similarity NPD1036 Approved
0.5964 Remote Similarity NPD7302 Phase 3
0.5964 Remote Similarity NPD8423 Phase 2
0.5964 Remote Similarity NPD7300 Phase 3
0.5964 Remote Similarity NPD8399 Phase 1

Structure

External Identifiers

PubChem CID   44139414
ChEMBL   CHEMBL558844
ZINC  

Physicochemical Properties

Molecular Weight:  710.32
ALogP:  0.7773
MLogP:  4.76
XLogP:  7.717
# Rotatable Bonds:  21
Polar Surface Area:  174.81
# H-Bond Aceptor:  11
# H-Bond Donor:  3
# Rings:  6
# Heavy Atoms:  52

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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