Natural Product: NPC472756

Natural Product ID:  NPC472756
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C26H40O9
Standard InCHIKey:  OGFVGXHKWVSOCS-GTOCYKSNSA-N
Standard InCHI:  InChI=1S/C26H40O9/c1-8-15(2)13-20(29)34-22(17(4)14-19(27)28)21(30)23(31)26(7)12-10-18(35-26)25(5,6)11-9-16(3)24(32)33/h9,11,13,16-18,22-23,31H,8,10,12,14H2,1-7H3,(H,27,28)(H,32,33)/b11-9+,15-13+/t16?,17?,18-,22?,23+,26+/m0/s1
Canonical SMILES:  CC/C(=C/C(=O)OC(C(=O)[C@H]([C@@]1(C)CC[C@H](O1)C(/C=C/C(C(=O)O)C)(C)C)O)C(CC(=O)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
NPO33329 stillingia lineata Species Euphorbiaceae Eukaryota Leaves Langevin, La Reunion, France 2009-NOV PMID[25946116]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT306 Cell Line PC-3 Homo sapiens Inhibition < 40 % 2614419
NPT83 Cell Line MCF7 Homo sapiens Inhibition < 40 % 10924160
NPT393 Cell Line HCT-116 Homo sapiens Inhibition < 40 % 17844994
NPT2 Others Unspecified EC50 > 201000 nM 18260638

  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 NPC472756 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
0.9588 High Similarity NPC472754
0.9485 High Similarity NPC472753
0.9293 High Similarity NPC472755
0.901 High Similarity NPC472748
0.8922 High Similarity NPC472751
0.8922 High Similarity NPC472749
0.8911 High Similarity NPC472750
0.8911 High Similarity NPC472747
0.8812 High Similarity NPC324017
0.8812 High Similarity NPC149371
0.8812 High Similarity NPC320019
0.8725 High Similarity NPC475871
0.8725 High Similarity NPC4620
0.8725 High Similarity NPC475945
0.8713 High Similarity NPC47880
0.8713 High Similarity NPC15993
0.8713 High Similarity NPC476270
0.8654 High Similarity NPC474421
0.8654 High Similarity NPC194620
0.8654 High Similarity NPC72813
0.8654 High Similarity NPC324327
0.8654 High Similarity NPC326994
0.8641 High Similarity NPC475676
0.8641 High Similarity NPC220964
0.8627 High Similarity NPC474747
0.8571 High Similarity NPC474664
0.8571 High Similarity NPC169888
0.8571 High Similarity NPC327286
0.8571 High Similarity NPC55972
0.8571 High Similarity NPC233379
0.8571 High Similarity NPC14862
0.8558 High Similarity NPC9303
0.8558 High Similarity NPC16313
0.8544 High Similarity NPC475873
0.8529 High Similarity NPC474339
0.8529 High Similarity NPC46998
0.8529 High Similarity NPC164598
0.8529 High Similarity NPC110443
0.8529 High Similarity NPC128733
0.8529 High Similarity NPC474742
0.8529 High Similarity NPC133907
0.8529 High Similarity NPC185141
0.8515 High Similarity NPC471144
0.8491 Intermediate Similarity NPC15218
0.8485 Intermediate Similarity NPC121825
0.8476 Intermediate Similarity NPC477513
0.8462 Intermediate Similarity NPC203659
0.8462 Intermediate Similarity NPC474741
0.8416 Intermediate Similarity NPC323421
0.8416 Intermediate Similarity NPC328562
0.84 Intermediate Similarity NPC36954
0.8384 Intermediate Similarity NPC476300
0.8384 Intermediate Similarity NPC469692
0.8384 Intermediate Similarity NPC469645
0.8384 Intermediate Similarity NPC475302
0.8381 Intermediate Similarity NPC475802
0.8365 Intermediate Similarity NPC110989
0.835 Intermediate Similarity NPC201718
0.8318 Intermediate Similarity NPC475922
0.8318 Intermediate Similarity NPC38154
0.8317 Intermediate Similarity NPC470883
0.8317 Intermediate Similarity NPC76862
0.8317 Intermediate Similarity NPC158416
0.8317 Intermediate Similarity NPC31645
0.8317 Intermediate Similarity NPC39859
0.8283 Intermediate Similarity NPC184463
0.8283 Intermediate Similarity NPC30515
0.8269 Intermediate Similarity NPC471148
0.8269 Intermediate Similarity NPC225353
0.8257 Intermediate Similarity NPC317687
0.8252 Intermediate Similarity NPC475949
0.8241 Intermediate Similarity NPC161816
0.8241 Intermediate Similarity NPC115257
0.8235 Intermediate Similarity NPC40812
0.8214 Intermediate Similarity NPC475401
0.82 Intermediate Similarity NPC475912
0.819 Intermediate Similarity NPC474165
0.819 Intermediate Similarity NPC69171
0.8182 Intermediate Similarity NPC51004
0.8165 Intermediate Similarity NPC317107
0.8155 Intermediate Similarity NPC161855
0.8155 Intermediate Similarity NPC54843
0.8148 Intermediate Similarity NPC42662
0.8142 Intermediate Similarity NPC477092
0.8137 Intermediate Similarity NPC476315
0.8137 Intermediate Similarity NPC476009
0.8131 Intermediate Similarity NPC26617
0.8125 Intermediate Similarity NPC475305
0.8125 Intermediate Similarity NPC471145
0.8125 Intermediate Similarity NPC471146
0.8119 Intermediate Similarity NPC190294
0.8113 Intermediate Similarity NPC100487
0.8095 Intermediate Similarity NPC105725
0.8095 Intermediate Similarity NPC183571
0.8091 Intermediate Similarity NPC66108
0.8091 Intermediate Similarity NPC473877
0.8081 Intermediate Similarity NPC307411
0.8077 Intermediate Similarity NPC288876
0.8073 Intermediate Similarity NPC5103
0.8073 Intermediate Similarity NPC477103
0.8061 Intermediate Similarity NPC179659
0.8039 Intermediate Similarity NPC471142
0.8039 Intermediate Similarity NPC475900
0.8039 Intermediate Similarity NPC270013
0.8039 Intermediate Similarity NPC474947
0.8039 Intermediate Similarity NPC14961
0.8036 Intermediate Similarity NPC270478
0.802 Intermediate Similarity NPC295204
0.802 Intermediate Similarity NPC288240
0.802 Intermediate Similarity NPC212486
0.802 Intermediate Similarity NPC165383
0.802 Intermediate Similarity NPC162205
0.802 Intermediate Similarity NPC273579
0.802 Intermediate Similarity NPC81419
0.802 Intermediate Similarity NPC179746
0.8019 Intermediate Similarity NPC475321
0.8018 Intermediate Similarity NPC469454
0.8018 Intermediate Similarity NPC469463
0.8018 Intermediate Similarity NPC469496
0.8017 Intermediate Similarity NPC1538
0.8017 Intermediate Similarity NPC42747
0.8017 Intermediate Similarity NPC91693
0.8017 Intermediate Similarity NPC265557
0.8017 Intermediate Similarity NPC67251
0.8017 Intermediate Similarity NPC105926
0.8017 Intermediate Similarity NPC18945
0.8 Intermediate Similarity NPC472000
0.8 Intermediate Similarity NPC471999
0.8 Intermediate Similarity NPC470779
0.8 Intermediate Similarity NPC473448
0.8 Intermediate Similarity NPC316228
0.8 Intermediate Similarity NPC474761
0.8 Intermediate Similarity NPC477511
0.8 Intermediate Similarity NPC476134
0.8 Intermediate Similarity NPC264477
0.8 Intermediate Similarity NPC476004
0.8 Intermediate Similarity NPC101067
0.7983 Intermediate Similarity NPC13071
0.7982 Intermediate Similarity NPC477102
0.7981 Intermediate Similarity NPC255592
0.7981 Intermediate Similarity NPC261377
0.7981 Intermediate Similarity NPC83895
0.7981 Intermediate Similarity NPC141191
0.7981 Intermediate Similarity NPC187761
0.7981 Intermediate Similarity NPC308567
0.798 Intermediate Similarity NPC202672
0.7965 Intermediate Similarity NPC476713
0.7965 Intermediate Similarity NPC476712
0.7961 Intermediate Similarity NPC473291
0.7961 Intermediate Similarity NPC230800
0.7961 Intermediate Similarity NPC476275
0.7961 Intermediate Similarity NPC473859
0.7961 Intermediate Similarity NPC17585
0.7961 Intermediate Similarity NPC279621
0.7959 Intermediate Similarity NPC469483
0.7959 Intermediate Similarity NPC38576
0.7959 Intermediate Similarity NPC279859
0.7949 Intermediate Similarity NPC476729
0.7949 Intermediate Similarity NPC24651
0.7944 Intermediate Similarity NPC471143
0.7944 Intermediate Similarity NPC477510
0.7941 Intermediate Similarity NPC81386
0.7941 Intermediate Similarity NPC469632
0.7941 Intermediate Similarity NPC474035
0.7931 Intermediate Similarity NPC312833
0.7931 Intermediate Similarity NPC192309
0.7928 Intermediate Similarity NPC138757
0.7925 Intermediate Similarity NPC473596
0.7925 Intermediate Similarity NPC49393
0.7921 Intermediate Similarity NPC12172
0.7921 Intermediate Similarity NPC476705
0.7921 Intermediate Similarity NPC208886
0.7921 Intermediate Similarity NPC20713
0.7909 Intermediate Similarity NPC257240
0.7905 Intermediate Similarity NPC477512
0.79 Intermediate Similarity NPC14901
0.79 Intermediate Similarity NPC130359
0.789 Intermediate Similarity NPC322903
0.7885 Intermediate Similarity NPC134454
0.7885 Intermediate Similarity NPC169205
0.7885 Intermediate Similarity NPC471140
0.7885 Intermediate Similarity NPC17326
0.7876 Intermediate Similarity NPC474333
0.7876 Intermediate Similarity NPC213084
0.7876 Intermediate Similarity NPC476711
0.7876 Intermediate Similarity NPC190185
0.7876 Intermediate Similarity NPC476710
0.787 Intermediate Similarity NPC476740
0.787 Intermediate Similarity NPC476738
0.7864 Intermediate Similarity NPC475659
0.7864 Intermediate Similarity NPC275960
0.7864 Intermediate Similarity NPC90121
0.7864 Intermediate Similarity NPC193645
0.7864 Intermediate Similarity NPC48803
0.7857 Intermediate Similarity NPC106395
0.7857 Intermediate Similarity NPC11804
0.7857 Intermediate Similarity NPC46269
0.785 Intermediate Similarity NPC309398
0.785 Intermediate Similarity NPC19239
0.785 Intermediate Similarity NPC474166

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472756 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
0.8131 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7909 Intermediate Similarity NPD6371 Approved
0.7864 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7822 Intermediate Similarity NPD6698 Approved
0.7822 Intermediate Similarity NPD46 Approved
0.7745 Intermediate Similarity NPD7983 Approved
0.7596 Intermediate Similarity NPD5282 Discontinued
0.7522 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7476 Intermediate Similarity NPD7838 Discovery
0.7476 Intermediate Similarity NPD5785 Approved
0.7315 Intermediate Similarity NPD4225 Approved
0.7257 Intermediate Similarity NPD6686 Approved
0.7203 Intermediate Similarity NPD7115 Discovery
0.7167 Intermediate Similarity NPD6319 Approved
0.7105 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD8297 Approved
0.7009 Intermediate Similarity NPD5778 Approved
0.7009 Intermediate Similarity NPD5779 Approved
0.7 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.699 Remote Similarity NPD1733 Clinical (unspecified phase)
0.699 Remote Similarity NPD5363 Approved
0.6967 Remote Similarity NPD8513 Phase 3
0.6967 Remote Similarity NPD8517 Approved
0.6967 Remote Similarity NPD8516 Approved
0.6967 Remote Similarity NPD8515 Approved
0.6935 Remote Similarity NPD7492 Approved
0.6931 Remote Similarity NPD5369 Approved
0.6923 Remote Similarity NPD5786 Approved
0.6923 Remote Similarity NPD6650 Approved
0.6923 Remote Similarity NPD6649 Approved
0.6897 Remote Similarity NPD6372 Approved
0.6897 Remote Similarity NPD6373 Approved
0.6885 Remote Similarity NPD6054 Approved
0.688 Remote Similarity NPD6616 Approved
0.6875 Remote Similarity NPD7260 Phase 2
0.6863 Remote Similarity NPD4270 Approved
0.6863 Remote Similarity NPD4269 Approved
0.6855 Remote Similarity NPD8328 Phase 3
0.6847 Remote Similarity NPD5696 Approved
0.6825 Remote Similarity NPD7078 Approved
0.6818 Remote Similarity NPD7839 Suspended
0.681 Remote Similarity NPD6899 Approved
0.681 Remote Similarity NPD6881 Approved
0.6796 Remote Similarity NPD7154 Phase 3
0.6783 Remote Similarity NPD5739 Approved
0.6783 Remote Similarity NPD6675 Approved
0.6783 Remote Similarity NPD7128 Approved
0.6783 Remote Similarity NPD6402 Approved
0.6774 Remote Similarity NPD6370 Approved
0.6772 Remote Similarity NPD7736 Approved
0.6759 Remote Similarity NPD6411 Approved
0.6757 Remote Similarity NPD6083 Phase 2
0.6757 Remote Similarity NPD6084 Phase 2
0.6748 Remote Similarity NPD6059 Approved
0.6726 Remote Similarity NPD5344 Discontinued
0.6724 Remote Similarity NPD5697 Approved
0.6723 Remote Similarity NPD6882 Approved
0.672 Remote Similarity NPD7642 Approved
0.6719 Remote Similarity NPD7319 Approved
0.6699 Remote Similarity NPD6435 Approved
0.6695 Remote Similarity NPD6883 Approved
0.6695 Remote Similarity NPD7290 Approved
0.6695 Remote Similarity NPD7102 Approved
0.6694 Remote Similarity NPD8444 Approved
0.6694 Remote Similarity NPD6016 Approved
0.6694 Remote Similarity NPD6015 Approved
0.6693 Remote Similarity NPD8074 Phase 3
0.6693 Remote Similarity NPD8293 Discontinued
0.6667 Remote Similarity NPD4252 Approved
0.6667 Remote Similarity NPD1694 Approved
0.6667 Remote Similarity NPD7320 Approved
0.6667 Remote Similarity NPD4632 Approved
0.664 Remote Similarity NPD5988 Approved
0.6639 Remote Similarity NPD6869 Approved
0.6639 Remote Similarity NPD6617 Approved
0.6639 Remote Similarity NPD8130 Phase 1
0.6639 Remote Similarity NPD6847 Approved
0.6635 Remote Similarity NPD6110 Phase 1
0.6634 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6614 Remote Similarity NPD7507 Approved
0.661 Remote Similarity NPD6013 Approved
0.661 Remote Similarity NPD6012 Approved
0.661 Remote Similarity NPD4061 Clinical (unspecified phase)
0.661 Remote Similarity NPD6014 Approved
0.6606 Remote Similarity NPD7637 Suspended
0.6583 Remote Similarity NPD6053 Discontinued
0.6581 Remote Similarity NPD5701 Approved
0.6577 Remote Similarity NPD5695 Phase 3
0.6574 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6574 Remote Similarity NPD6101 Approved
0.6574 Remote Similarity NPD1695 Approved
0.6565 Remote Similarity NPD6845 Suspended
0.656 Remote Similarity NPD6921 Approved
0.6555 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6555 Remote Similarity NPD4634 Approved
0.6549 Remote Similarity NPD7638 Approved
0.6542 Remote Similarity NPD4251 Approved
0.6542 Remote Similarity NPD4250 Approved
0.6538 Remote Similarity NPD5209 Approved
0.6538 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6525 Remote Similarity NPD6011 Approved
0.6508 Remote Similarity NPD8080 Discontinued
0.6505 Remote Similarity NPD4819 Approved
0.6505 Remote Similarity NPD5368 Approved
0.6505 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6505 Remote Similarity NPD4822 Approved
0.6505 Remote Similarity NPD4821 Approved
0.6505 Remote Similarity NPD4820 Approved
0.6504 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6504 Remote Similarity NPD6009 Approved
0.6491 Remote Similarity NPD7639 Approved
0.6491 Remote Similarity NPD7640 Approved
0.6484 Remote Similarity NPD8451 Approved
0.6476 Remote Similarity NPD5362 Discontinued
0.6457 Remote Similarity NPD7604 Phase 2
0.6457 Remote Similarity NPD7829 Approved
0.6457 Remote Similarity NPD7830 Approved
0.6449 Remote Similarity NPD4249 Approved
0.6441 Remote Similarity NPD6412 Phase 2
0.6434 Remote Similarity NPD8448 Approved
0.6429 Remote Similarity NPD5983 Phase 2
0.6429 Remote Similarity NPD5210 Approved
0.6429 Remote Similarity NPD4629 Approved
0.6396 Remote Similarity NPD6399 Phase 3
0.6381 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6364 Remote Similarity NPD2204 Approved
0.6357 Remote Similarity NPD8273 Phase 1
0.6357 Remote Similarity NPD6336 Discontinued
0.6355 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6348 Remote Similarity NPD6648 Approved
0.6343 Remote Similarity NPD8415 Approved
0.633 Remote Similarity NPD6672 Approved
0.633 Remote Similarity NPD5737 Approved
0.632 Remote Similarity NPD7641 Discontinued
0.6311 Remote Similarity NPD4268 Approved
0.6311 Remote Similarity NPD4271 Approved
0.6306 Remote Similarity NPD5693 Phase 1
0.6303 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6299 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6288 Remote Similarity NPD8391 Approved
0.6288 Remote Similarity NPD8390 Approved
0.6288 Remote Similarity NPD8392 Approved
0.6279 Remote Similarity NPD8340 Approved
0.6279 Remote Similarity NPD8341 Approved
0.6279 Remote Similarity NPD8299 Approved
0.6279 Remote Similarity NPD8342 Approved
0.6273 Remote Similarity NPD5370 Suspended
0.627 Remote Similarity NPD7100 Approved
0.627 Remote Similarity NPD7101 Approved
0.6262 Remote Similarity NPD6400 Clinical (unspecified phase)
0.626 Remote Similarity NPD6033 Approved
0.6239 Remote Similarity NPD5211 Phase 2
0.6218 Remote Similarity NPD6008 Approved
0.6207 Remote Similarity NPD5286 Approved
0.6207 Remote Similarity NPD4696 Approved
0.6207 Remote Similarity NPD5285 Approved
0.619 Remote Similarity NPD7327 Approved
0.619 Remote Similarity NPD7328 Approved
0.619 Remote Similarity NPD6335 Approved
0.6176 Remote Similarity NPD8039 Approved
0.6176 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6174 Remote Similarity NPD4755 Approved
0.6174 Remote Similarity NPD7902 Approved
0.6172 Remote Similarity NPD8033 Approved
0.6172 Remote Similarity NPD7503 Approved
0.6165 Remote Similarity NPD5956 Approved
0.6161 Remote Similarity NPD4810 Clinical (unspecified phase)
0.616 Remote Similarity NPD6274 Approved
0.6146 Remote Similarity NPD3197 Phase 1
0.6142 Remote Similarity NPD7516 Approved
0.6134 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6134 Remote Similarity NPD5141 Approved
0.6134 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6129 Remote Similarity NPD8133 Approved
0.6126 Remote Similarity NPD6673 Approved
0.6126 Remote Similarity NPD6904 Approved
0.6126 Remote Similarity NPD6080 Approved
0.6126 Remote Similarity NPD4753 Phase 2
0.6111 Remote Similarity NPD6317 Approved
0.6111 Remote Similarity NPD7500 Approved
0.6102 Remote Similarity NPD5224 Approved
0.6102 Remote Similarity NPD5225 Approved
0.6102 Remote Similarity NPD4633 Approved
0.6102 Remote Similarity NPD5226 Approved
0.6094 Remote Similarity NPD8294 Approved
0.6094 Remote Similarity NPD8377 Approved
0.6091 Remote Similarity NPD7524 Approved
0.6087 Remote Similarity NPD4792 Clinical (unspecified phase)
0.6068 Remote Similarity NPD4700 Approved
0.6066 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6063 Remote Similarity NPD6314 Approved
0.6063 Remote Similarity NPD6313 Approved
0.6058 Remote Similarity NPD4756 Discovery
0.6053 Remote Similarity NPD7748 Approved
0.605 Remote Similarity NPD5174 Approved
0.605 Remote Similarity NPD5175 Approved
0.6047 Remote Similarity NPD6908 Approved
0.6047 Remote Similarity NPD6909 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3582003
ZINC  

Physicochemical Properties

Molecular Weight:  496.27
ALogP:  1.2681
MLogP:  3.33
XLogP:  2.396
# Rotatable Bonds:  24
Polar Surface Area:  147.43
# H-Bond Aceptor:  9
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  35

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs