Natural Product: NPC473522

Natural Product ID:  NPC473522
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C34H48O10
Standard InCHIKey:  OYJIRPDIKPGGLA-JJCNZDQMSA-N
Standard InCHI:  InChI=1S/C34H48O10/c1-12-16(3)30(38)42-26-20(7)28(37)33-15-19(6)29(41-22(9)36)34(33,44-33)14-18(5)25(40-21(8)35)27(24-23(26)32(24,10)11)43-31(39)17(4)13-2/h12,14,17,19-20,23-27,29H,13,15H2,1-11H3/b16-12+,18-14+/t17?,19-,20+,23-,24+,25+,26-,27-,29-,33-,34-/m0/s1
Canonical SMILES:  CCC(C(=O)O[C@@H]1[C@H](OC(=O)C)/C(=C/[C@]23O[C@]3(C(=O)[C@@H]([C@@H]([C@@H]3[C@H]1C3(C)C)OC(=O)/C(=C/C)/C)C)C[C@@H]([C@@H]2OC(=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
NPO32447 euphorbia ledienii Species Euphorbiaceae Eukaryota latices South African PMID[3236005]
NPO19062 Euphorbia coerulescens Species Euphorbiaceae Eukaryota latices South African PMID[3236005]
NPO25960 Euphorbia triangularis Species Euphorbiaceae Eukaryota latices South African PMID[3236005]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus Activity > 1000 ug 19877653

  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 NPC473522 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 NPC477093
1.0 High Similarity NPC475277
0.9903 High Similarity NPC475495
0.9626 High Similarity NPC475305
0.9537 High Similarity NPC475401
0.945 High Similarity NPC477092
0.9029 High Similarity NPC471767
0.8962 High Similarity NPC470192
0.8942 High Similarity NPC471757
0.8942 High Similarity NPC250594
0.8942 High Similarity NPC49393
0.8942 High Similarity NPC105725
0.8942 High Similarity NPC78127
0.8654 High Similarity NPC470188
0.8641 High Similarity NPC477354
0.8559 High Similarity NPC471933
0.835 Intermediate Similarity NPC202824
0.835 Intermediate Similarity NPC477361
0.8318 Intermediate Similarity NPC264477
0.8318 Intermediate Similarity NPC477511
0.8318 Intermediate Similarity NPC477356
0.8302 Intermediate Similarity NPC477355
0.8288 Intermediate Similarity NPC471934
0.8257 Intermediate Similarity NPC169843
0.8252 Intermediate Similarity NPC221282
0.8241 Intermediate Similarity NPC118405
0.8214 Intermediate Similarity NPC477103
0.8182 Intermediate Similarity NPC291643
0.8125 Intermediate Similarity NPC477102
0.8113 Intermediate Similarity NPC17585
0.8091 Intermediate Similarity NPC477510
0.8091 Intermediate Similarity NPC471143
0.8077 Intermediate Similarity NPC20713
0.8056 Intermediate Similarity NPC477512
0.8053 Intermediate Similarity NPC50223
0.8037 Intermediate Similarity NPC87090
0.8037 Intermediate Similarity NPC471140
0.8036 Intermediate Similarity NPC117604
0.8034 Intermediate Similarity NPC475130
0.8034 Intermediate Similarity NPC474286
0.8018 Intermediate Similarity NPC470975
0.8018 Intermediate Similarity NPC103088
0.8018 Intermediate Similarity NPC470979
0.8 Intermediate Similarity NPC472755
0.7982 Intermediate Similarity NPC287311
0.7981 Intermediate Similarity NPC475748
0.7965 Intermediate Similarity NPC139838
0.7965 Intermediate Similarity NPC59489
0.7946 Intermediate Similarity NPC474716
0.7946 Intermediate Similarity NPC26617
0.7946 Intermediate Similarity NPC477513
0.7928 Intermediate Similarity NPC474741
0.7909 Intermediate Similarity NPC472754
0.7895 Intermediate Similarity NPC257240
0.7895 Intermediate Similarity NPC41551
0.7886 Intermediate Similarity NPC236999
0.7876 Intermediate Similarity NPC470269
0.7857 Intermediate Similarity NPC314244
0.7857 Intermediate Similarity NPC54737
0.7845 Intermediate Similarity NPC101965
0.7845 Intermediate Similarity NPC101400
0.7838 Intermediate Similarity NPC19239
0.7838 Intermediate Similarity NPC474166
0.7823 Intermediate Similarity NPC13071
0.7818 Intermediate Similarity NPC201718
0.7818 Intermediate Similarity NPC474339
0.7818 Intermediate Similarity NPC164598
0.7818 Intermediate Similarity NPC472753
0.7807 Intermediate Similarity NPC77089
0.7798 Intermediate Similarity NPC208233
0.7797 Intermediate Similarity NPC239273
0.7788 Intermediate Similarity NPC471601
0.7788 Intermediate Similarity NPC469558
0.7788 Intermediate Similarity NPC475902
0.7778 Intermediate Similarity NPC58029
0.7778 Intermediate Similarity NPC476275
0.7778 Intermediate Similarity NPC138303
0.7778 Intermediate Similarity NPC67290
0.7778 Intermediate Similarity NPC133677
0.7768 Intermediate Similarity NPC472756
0.7767 Intermediate Similarity NPC261253
0.7767 Intermediate Similarity NPC469676
0.7767 Intermediate Similarity NPC474045
0.7759 Intermediate Similarity NPC471570
0.7759 Intermediate Similarity NPC98038
0.7759 Intermediate Similarity NPC313921
0.7757 Intermediate Similarity NPC471147
0.775 Intermediate Similarity NPC163693
0.775 Intermediate Similarity NPC147635
0.7748 Intermediate Similarity NPC149371
0.7742 Intermediate Similarity NPC172823
0.7731 Intermediate Similarity NPC470420
0.7727 Intermediate Similarity NPC280963
0.7719 Intermediate Similarity NPC55972
0.7719 Intermediate Similarity NPC327286
0.7719 Intermediate Similarity NPC473939
0.7719 Intermediate Similarity NPC169888
0.7719 Intermediate Similarity NPC308191
0.7719 Intermediate Similarity NPC473595
0.7717 Intermediate Similarity NPC471234
0.7717 Intermediate Similarity NPC475452
0.7717 Intermediate Similarity NPC475671
0.7705 Intermediate Similarity NPC472399
0.7705 Intermediate Similarity NPC42747
0.7699 Intermediate Similarity NPC44004
0.7699 Intermediate Similarity NPC16313
0.7699 Intermediate Similarity NPC9303
0.7699 Intermediate Similarity NPC223450
0.7699 Intermediate Similarity NPC475802
0.7698 Intermediate Similarity NPC34963
0.7692 Intermediate Similarity NPC46269
0.7692 Intermediate Similarity NPC231889
0.7692 Intermediate Similarity NPC106395
0.7687 Intermediate Similarity NPC477094
0.7687 Intermediate Similarity NPC477096
0.768 Intermediate Similarity NPC35109
0.7679 Intermediate Similarity NPC475871
0.7679 Intermediate Similarity NPC123505
0.7679 Intermediate Similarity NPC475945
0.7667 Intermediate Similarity NPC475520
0.7667 Intermediate Similarity NPC472667
0.7658 Intermediate Similarity NPC171759
0.7658 Intermediate Similarity NPC477950
0.7658 Intermediate Similarity NPC47880
0.7658 Intermediate Similarity NPC474742
0.7658 Intermediate Similarity NPC476270
0.7652 Intermediate Similarity NPC15218
0.7647 Intermediate Similarity NPC471146
0.7642 Intermediate Similarity NPC329857
0.7642 Intermediate Similarity NPC144625
0.7642 Intermediate Similarity NPC469718
0.7638 Intermediate Similarity NPC469673
0.7638 Intermediate Similarity NPC224623
0.7638 Intermediate Similarity NPC469674
0.7636 Intermediate Similarity NPC109556
0.7632 Intermediate Similarity NPC72813
0.7632 Intermediate Similarity NPC473911
0.7632 Intermediate Similarity NPC326994
0.7632 Intermediate Similarity NPC475510
0.7632 Intermediate Similarity NPC324327
0.7632 Intermediate Similarity NPC474421
0.7632 Intermediate Similarity NPC475587
0.7632 Intermediate Similarity NPC194620
0.7627 Intermediate Similarity NPC305044
0.7627 Intermediate Similarity NPC265290
0.7623 Intermediate Similarity NPC19464
0.7623 Intermediate Similarity NPC192309
0.7619 Intermediate Similarity NPC279478
0.7619 Intermediate Similarity NPC220757
0.7619 Intermediate Similarity NPC469351
0.7619 Intermediate Similarity NPC196921
0.7619 Intermediate Similarity NPC241935
0.7615 Intermediate Similarity NPC35498
0.7615 Intermediate Similarity NPC476315
0.7607 Intermediate Similarity NPC123855
0.7607 Intermediate Similarity NPC170487
0.7607 Intermediate Similarity NPC317687
0.7607 Intermediate Similarity NPC138757
0.7607 Intermediate Similarity NPC76550
0.7603 Intermediate Similarity NPC4548
0.7596 Intermediate Similarity NPC137253
0.7593 Intermediate Similarity NPC473316
0.7593 Intermediate Similarity NPC476267
0.7593 Intermediate Similarity NPC473330
0.7593 Intermediate Similarity NPC140543
0.7589 Intermediate Similarity NPC471148
0.7589 Intermediate Similarity NPC474747
0.7586 Intermediate Similarity NPC473594
0.7586 Intermediate Similarity NPC473843
0.7586 Intermediate Similarity NPC473975
0.7586 Intermediate Similarity NPC474586
0.7583 Intermediate Similarity NPC118638
0.7583 Intermediate Similarity NPC473720
0.7581 Intermediate Similarity NPC473635
0.7578 Intermediate Similarity NPC476823
0.757 Intermediate Similarity NPC290651
0.757 Intermediate Similarity NPC286341
0.757 Intermediate Similarity NPC191339
0.7568 Intermediate Similarity NPC13743
0.7568 Intermediate Similarity NPC475949
0.7568 Intermediate Similarity NPC98813
0.7568 Intermediate Similarity NPC288876
0.7568 Intermediate Similarity NPC469551
0.7568 Intermediate Similarity NPC186861
0.7565 Intermediate Similarity NPC233379
0.7565 Intermediate Similarity NPC474664
0.7565 Intermediate Similarity NPC14862
0.7563 Intermediate Similarity NPC148458
0.7563 Intermediate Similarity NPC470793
0.7561 Intermediate Similarity NPC473802
0.7561 Intermediate Similarity NPC1538
0.7547 Intermediate Similarity NPC166919
0.7547 Intermediate Similarity NPC151770
0.7545 Intermediate Similarity NPC108475
0.7545 Intermediate Similarity NPC47834
0.7545 Intermediate Similarity NPC170143
0.7545 Intermediate Similarity NPC213947
0.7544 Intermediate Similarity NPC243998
0.7544 Intermediate Similarity NPC179891
0.7544 Intermediate Similarity NPC474101

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473522 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
0.7946 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD6371 Approved
0.7317 Intermediate Similarity NPD6319 Approved
0.7222 Intermediate Similarity NPD1695 Approved
0.717 Intermediate Similarity NPD1733 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD8297 Approved
0.7156 Intermediate Similarity NPD5785 Approved
0.7094 Intermediate Similarity NPD6008 Approved
0.7087 Intermediate Similarity NPD7492 Approved
0.7054 Intermediate Similarity NPD7736 Approved
0.704 Intermediate Similarity NPD6054 Approved
0.7031 Intermediate Similarity NPD6616 Approved
0.7 Intermediate Similarity NPD6698 Approved
0.7 Intermediate Similarity NPD46 Approved
0.6977 Remote Similarity NPD7078 Approved
0.6977 Remote Similarity NPD8293 Discontinued
0.6942 Remote Similarity NPD6650 Approved
0.6942 Remote Similarity NPD6649 Approved
0.6935 Remote Similarity NPD7115 Discovery
0.6929 Remote Similarity NPD6370 Approved
0.6917 Remote Similarity NPD6373 Approved
0.6917 Remote Similarity NPD6372 Approved
0.6905 Remote Similarity NPD6059 Approved
0.6903 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6885 Remote Similarity NPD6053 Discontinued
0.6875 Remote Similarity NPD7604 Phase 2
0.685 Remote Similarity NPD6015 Approved
0.685 Remote Similarity NPD6016 Approved
0.6847 Remote Similarity NPD7838 Discovery
0.6833 Remote Similarity NPD6899 Approved
0.6833 Remote Similarity NPD6881 Approved
0.6807 Remote Similarity NPD5739 Approved
0.6807 Remote Similarity NPD6402 Approved
0.6807 Remote Similarity NPD6675 Approved
0.6807 Remote Similarity NPD7128 Approved
0.6803 Remote Similarity NPD8130 Phase 1
0.6797 Remote Similarity NPD5988 Approved
0.6786 Remote Similarity NPD7983 Approved
0.6786 Remote Similarity NPD5693 Phase 1
0.675 Remote Similarity NPD5697 Approved
0.6748 Remote Similarity NPD6882 Approved
0.6742 Remote Similarity NPD7319 Approved
0.6729 Remote Similarity NPD5209 Approved
0.6721 Remote Similarity NPD7290 Approved
0.6721 Remote Similarity NPD6883 Approved
0.6721 Remote Similarity NPD7102 Approved
0.6697 Remote Similarity NPD5363 Approved
0.6694 Remote Similarity NPD7320 Approved
0.6694 Remote Similarity NPD4632 Approved
0.6667 Remote Similarity NPD5282 Discontinued
0.6667 Remote Similarity NPD6847 Approved
0.6667 Remote Similarity NPD6617 Approved
0.6667 Remote Similarity NPD6009 Approved
0.6667 Remote Similarity NPD6869 Approved
0.6641 Remote Similarity NPD7507 Approved
0.6639 Remote Similarity NPD6012 Approved
0.6639 Remote Similarity NPD6013 Approved
0.6639 Remote Similarity NPD6014 Approved
0.6638 Remote Similarity NPD6084 Phase 2
0.6638 Remote Similarity NPD6083 Phase 2
0.6636 Remote Similarity NPD5786 Approved
0.6612 Remote Similarity NPD5701 Approved
0.6612 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6609 Remote Similarity NPD5695 Phase 3
0.6607 Remote Similarity NPD6904 Approved
0.6607 Remote Similarity NPD6673 Approved
0.6607 Remote Similarity NPD6080 Approved
0.6589 Remote Similarity NPD5983 Phase 2
0.6585 Remote Similarity NPD4634 Approved
0.6581 Remote Similarity NPD5696 Approved
0.6574 Remote Similarity NPD6435 Approved
0.6557 Remote Similarity NPD6686 Approved
0.6557 Remote Similarity NPD6011 Approved
0.6519 Remote Similarity NPD7260 Phase 2
0.6518 Remote Similarity NPD6672 Approved
0.6518 Remote Similarity NPD5737 Approved
0.6515 Remote Similarity NPD6336 Discontinued
0.6491 Remote Similarity NPD6050 Approved
0.6481 Remote Similarity NPD5369 Approved
0.6466 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6452 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6422 Remote Similarity NPD4270 Approved
0.6422 Remote Similarity NPD4269 Approved
0.6418 Remote Similarity NPD6033 Approved
0.6404 Remote Similarity NPD5692 Phase 3
0.64 Remote Similarity NPD8413 Clinical (unspecified phase)
0.64 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6389 Remote Similarity NPD5368 Approved
0.6387 Remote Similarity NPD6648 Approved
0.6364 Remote Similarity NPD8328 Phase 3
0.6348 Remote Similarity NPD5694 Approved
0.6339 Remote Similarity NPD7521 Approved
0.6339 Remote Similarity NPD5330 Approved
0.6339 Remote Similarity NPD6098 Approved
0.6339 Remote Similarity NPD7334 Approved
0.6339 Remote Similarity NPD6684 Approved
0.6339 Remote Similarity NPD6409 Approved
0.6339 Remote Similarity NPD7146 Approved
0.6336 Remote Similarity NPD8033 Approved
0.6333 Remote Similarity NPD5344 Discontinued
0.6328 Remote Similarity NPD6274 Approved
0.6308 Remote Similarity NPD7101 Approved
0.6308 Remote Similarity NPD7100 Approved
0.6303 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6303 Remote Similarity NPD7638 Approved
0.6303 Remote Similarity NPD4225 Approved
0.629 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6286 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6283 Remote Similarity NPD4251 Approved
0.6283 Remote Similarity NPD4250 Approved
0.6281 Remote Similarity NPD5211 Phase 2
0.6273 Remote Similarity NPD4752 Clinical (unspecified phase)
0.625 Remote Similarity NPD6082 Clinical (unspecified phase)
0.625 Remote Similarity NPD5286 Approved
0.625 Remote Similarity NPD4696 Approved
0.625 Remote Similarity NPD5285 Approved
0.625 Remote Similarity NPD7640 Approved
0.625 Remote Similarity NPD1694 Approved
0.625 Remote Similarity NPD7639 Approved
0.6241 Remote Similarity NPD7642 Approved
0.624 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6239 Remote Similarity NPD4821 Approved
0.6239 Remote Similarity NPD4819 Approved
0.6239 Remote Similarity NPD4252 Approved
0.6239 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6239 Remote Similarity NPD4822 Approved
0.6239 Remote Similarity NPD4820 Approved
0.6239 Remote Similarity NPD6001 Approved
0.6232 Remote Similarity NPD6845 Suspended
0.6231 Remote Similarity NPD6335 Approved
0.6228 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6228 Remote Similarity NPD6903 Approved
0.6218 Remote Similarity NPD5959 Approved
0.6218 Remote Similarity NPD4755 Approved
0.6216 Remote Similarity NPD5362 Discontinued
0.6212 Remote Similarity NPD8515 Approved
0.6212 Remote Similarity NPD8513 Phase 3
0.6212 Remote Similarity NPD8516 Approved
0.6212 Remote Similarity NPD8517 Approved
0.621 Remote Similarity NPD6412 Phase 2
0.6204 Remote Similarity NPD5956 Approved
0.6198 Remote Similarity NPD1700 Approved
0.6195 Remote Similarity NPD4249 Approved
0.6179 Remote Similarity NPD5141 Approved
0.6179 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6179 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6154 Remote Similarity NPD6399 Phase 3
0.6154 Remote Similarity NPD5778 Approved
0.6154 Remote Similarity NPD5779 Approved
0.6154 Remote Similarity NPD6317 Approved
0.6148 Remote Similarity NPD5225 Approved
0.6148 Remote Similarity NPD5226 Approved
0.6148 Remote Similarity NPD4633 Approved
0.6148 Remote Similarity NPD5224 Approved
0.6136 Remote Similarity NPD8377 Approved
0.6136 Remote Similarity NPD8294 Approved
0.6126 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6119 Remote Similarity NPD7830 Approved
0.6119 Remote Similarity NPD7829 Approved
0.6116 Remote Similarity NPD4700 Approved
0.6107 Remote Similarity NPD6314 Approved
0.6107 Remote Similarity NPD7327 Approved
0.6107 Remote Similarity NPD6313 Approved
0.6107 Remote Similarity NPD7328 Approved
0.6098 Remote Similarity NPD5174 Approved
0.6098 Remote Similarity NPD5175 Approved
0.609 Remote Similarity NPD8379 Approved
0.609 Remote Similarity NPD6908 Approved
0.609 Remote Similarity NPD8378 Approved
0.609 Remote Similarity NPD8296 Approved
0.609 Remote Similarity NPD7503 Approved
0.609 Remote Similarity NPD8335 Approved
0.609 Remote Similarity NPD8380 Approved
0.609 Remote Similarity NPD6909 Approved
0.608 Remote Similarity NPD6614 Approved
0.6071 Remote Similarity NPD7154 Phase 3
0.6068 Remote Similarity NPD7637 Suspended
0.6066 Remote Similarity NPD5223 Approved
0.6061 Remote Similarity NPD7516 Approved
0.6058 Remote Similarity NPD8336 Approved
0.6058 Remote Similarity NPD8337 Approved
0.6055 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6055 Remote Similarity NPD4268 Approved
0.6055 Remote Similarity NPD4271 Approved
0.605 Remote Similarity NPD5210 Approved
0.605 Remote Similarity NPD4629 Approved
0.605 Remote Similarity NPD5654 Approved
0.6034 Remote Similarity NPD4753 Phase 2
0.6034 Remote Similarity NPD6051 Approved
0.6032 Remote Similarity NPD4729 Approved
0.6032 Remote Similarity NPD4730 Approved
0.6031 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6 Remote Similarity NPD4768 Approved
0.6 Remote Similarity NPD4767 Approved
0.6 Remote Similarity NPD7839 Suspended
0.5985 Remote Similarity NPD8074 Phase 3
0.5983 Remote Similarity NPD5207 Approved
0.597 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5951 Remote Similarity NPD7799 Discontinued
0.5948 Remote Similarity NPD5208 Approved

Structure

External Identifiers

PubChem CID   44559781
ChEMBL   CHEMBL444524
ZINC  

Physicochemical Properties

Molecular Weight:  616.32
ALogP:  2.1283
MLogP:  4.1
XLogP:  4.38
# Rotatable Bonds:  22
Polar Surface Area:  134.8
# H-Bond Aceptor:  10
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  44

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs