Natural Product: NPC473911

Natural Product ID:  NPC473911
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C41H62O10
Standard InCHIKey:  OVFTUVNTXYNAAN-HVEFPQJESA-N
Standard InCHI:  InChI=1S/C41H62O10/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34(45)51-33-23-31-35-32(39(35,7)25-48-28(4)42)22-27(3)40(36(31)46)24-26(2)37(49-29(5)43)41(40,47)38(33)50-30(6)44/h23-24,27,31-32,35,37-38,47H,8-22,25H2,1-7H3/t27-,31+,32-,35+,37+,38-,39-,40+,41-/m1/s1
Canonical SMILES:  CCCCCCCCCCCCCCCC(=O)OC1=C[C@H]2[C@H]3[C@H]([C@@]3(C)COC(=O)C)C[C@H]([C@]3([C@@]([C@@H]1OC(=O)C)(O)[C@@H](OC(=O)C)C(=C3)C)C2=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
NPO15892 Euphorbia quinquecostata Species Euphorbiaceae Eukaryota Stem wood PMID[8946746]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 275000 nM 10650087

  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 NPC473911 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
0.95 High Similarity NPC475661
0.95 High Similarity NPC473488
0.9231 High Similarity NPC287311
0.9135 High Similarity NPC477103
0.9126 High Similarity NPC308191
0.9038 High Similarity NPC477102
0.8932 High Similarity NPC179891
0.8774 High Similarity NPC257240
0.8679 High Similarity NPC47951
0.8624 High Similarity NPC133677
0.8624 High Similarity NPC138303
0.8624 High Similarity NPC67290
0.8611 High Similarity NPC138757
0.8532 High Similarity NPC46269
0.8532 High Similarity NPC106395
0.844 Intermediate Similarity NPC76550
0.844 Intermediate Similarity NPC123855
0.8235 Intermediate Similarity NPC261341
0.7982 Intermediate Similarity NPC26617
0.7913 Intermediate Similarity NPC475401
0.785 Intermediate Similarity NPC477950
0.7845 Intermediate Similarity NPC477092
0.7826 Intermediate Similarity NPC475305
0.7798 Intermediate Similarity NPC203659
0.7727 Intermediate Similarity NPC223450
0.7706 Intermediate Similarity NPC110989
0.7664 Intermediate Similarity NPC141191
0.7647 Intermediate Similarity NPC162009
0.7647 Intermediate Similarity NPC257017
0.7636 Intermediate Similarity NPC100487
0.7636 Intermediate Similarity NPC472756
0.7636 Intermediate Similarity NPC474741
0.7632 Intermediate Similarity NPC473522
0.7632 Intermediate Similarity NPC475277
0.7632 Intermediate Similarity NPC477093
0.7623 Intermediate Similarity NPC236999
0.7619 Intermediate Similarity NPC65829
0.7619 Intermediate Similarity NPC167219
0.7615 Intermediate Similarity NPC105725
0.7615 Intermediate Similarity NPC472754
0.7615 Intermediate Similarity NPC225353
0.7615 Intermediate Similarity NPC183571
0.7615 Intermediate Similarity NPC474709
0.7607 Intermediate Similarity NPC146280
0.7607 Intermediate Similarity NPC124676
0.7607 Intermediate Similarity NPC288679
0.7589 Intermediate Similarity NPC327286
0.7589 Intermediate Similarity NPC169888
0.7589 Intermediate Similarity NPC55972
0.7583 Intermediate Similarity NPC472399
0.757 Intermediate Similarity NPC477949
0.757 Intermediate Similarity NPC169205
0.7568 Intermediate Similarity NPC243998
0.7568 Intermediate Similarity NPC16313
0.7568 Intermediate Similarity NPC9303
0.7565 Intermediate Similarity NPC474937
0.7563 Intermediate Similarity NPC52839
0.7547 Intermediate Similarity NPC90121
0.7547 Intermediate Similarity NPC193645
0.7547 Intermediate Similarity NPC48803
0.7547 Intermediate Similarity NPC275960
0.7545 Intermediate Similarity NPC69171
0.7545 Intermediate Similarity NPC472755
0.7545 Intermediate Similarity NPC475871
0.7545 Intermediate Similarity NPC474165
0.7545 Intermediate Similarity NPC4620
0.7545 Intermediate Similarity NPC475945
0.7544 Intermediate Similarity NPC475495
0.7524 Intermediate Similarity NPC476300
0.7523 Intermediate Similarity NPC474742
0.7523 Intermediate Similarity NPC472753
0.7522 Intermediate Similarity NPC15218
0.7521 Intermediate Similarity NPC36754
0.7521 Intermediate Similarity NPC10721
0.75 Intermediate Similarity NPC324327
0.75 Intermediate Similarity NPC19464
0.75 Intermediate Similarity NPC474421
0.75 Intermediate Similarity NPC72813
0.75 Intermediate Similarity NPC194620
0.75 Intermediate Similarity NPC326994
0.7479 Intermediate Similarity NPC471128
0.7479 Intermediate Similarity NPC145182
0.7479 Intermediate Similarity NPC157252
0.7479 Intermediate Similarity NPC471126
0.7478 Intermediate Similarity NPC151216
0.7478 Intermediate Similarity NPC89227
0.7478 Intermediate Similarity NPC265499
0.7478 Intermediate Similarity NPC221511
0.7478 Intermediate Similarity NPC215643
0.7478 Intermediate Similarity NPC17138
0.7478 Intermediate Similarity NPC101825
0.7478 Intermediate Similarity NPC475391
0.7478 Intermediate Similarity NPC170212
0.7477 Intermediate Similarity NPC185553
0.7477 Intermediate Similarity NPC220964
0.7477 Intermediate Similarity NPC475676
0.7477 Intermediate Similarity NPC309190
0.7458 Intermediate Similarity NPC161060
0.7455 Intermediate Similarity NPC78127
0.7455 Intermediate Similarity NPC49393
0.7455 Intermediate Similarity NPC118405
0.7455 Intermediate Similarity NPC471757
0.7455 Intermediate Similarity NPC474747
0.7453 Intermediate Similarity NPC477241
0.7451 Intermediate Similarity NPC469483
0.7438 Intermediate Similarity NPC473802
0.7436 Intermediate Similarity NPC234858
0.7436 Intermediate Similarity NPC471127
0.7436 Intermediate Similarity NPC154363
0.7434 Intermediate Similarity NPC233379
0.7434 Intermediate Similarity NPC117604
0.7434 Intermediate Similarity NPC474664
0.7434 Intermediate Similarity NPC94377
0.7434 Intermediate Similarity NPC14862
0.7431 Intermediate Similarity NPC280963
0.7429 Intermediate Similarity NPC70595
0.7429 Intermediate Similarity NPC74103
0.7429 Intermediate Similarity NPC150978
0.7429 Intermediate Similarity NPC284185
0.7429 Intermediate Similarity NPC475972
0.7429 Intermediate Similarity NPC123177
0.7417 Intermediate Similarity NPC472401
0.7414 Intermediate Similarity NPC209058
0.7411 Intermediate Similarity NPC475802
0.7407 Intermediate Similarity NPC108475
0.7407 Intermediate Similarity NPC239895
0.7407 Intermediate Similarity NPC213947
0.7407 Intermediate Similarity NPC170143
0.74 Intermediate Similarity NPC89555
0.7395 Intermediate Similarity NPC5989
0.7395 Intermediate Similarity NPC22628
0.7395 Intermediate Similarity NPC275696
0.7395 Intermediate Similarity NPC471108
0.7395 Intermediate Similarity NPC255081
0.7395 Intermediate Similarity NPC5991
0.7391 Intermediate Similarity NPC96739
0.7391 Intermediate Similarity NPC174471
0.7391 Intermediate Similarity NPC260786
0.7391 Intermediate Similarity NPC474871
0.7387 Intermediate Similarity NPC475321
0.7383 Intermediate Similarity NPC475900
0.7383 Intermediate Similarity NPC36954
0.7383 Intermediate Similarity NPC67584
0.7379 Intermediate Similarity NPC478144
0.7379 Intermediate Similarity NPC478145
0.7377 Intermediate Similarity NPC144625
0.7377 Intermediate Similarity NPC473919
0.7377 Intermediate Similarity NPC145238
0.7377 Intermediate Similarity NPC473709
0.7373 Intermediate Similarity NPC471145
0.7373 Intermediate Similarity NPC471146
0.7368 Intermediate Similarity NPC273433
0.7368 Intermediate Similarity NPC475922
0.7364 Intermediate Similarity NPC171759
0.7364 Intermediate Similarity NPC471767
0.735 Intermediate Similarity NPC474872
0.735 Intermediate Similarity NPC472400
0.7339 Intermediate Similarity NPC477355
0.7339 Intermediate Similarity NPC470188
0.7333 Intermediate Similarity NPC51004
0.7333 Intermediate Similarity NPC185876
0.7333 Intermediate Similarity NPC472759
0.7333 Intermediate Similarity NPC253144
0.7333 Intermediate Similarity NPC475885
0.7333 Intermediate Similarity NPC145666
0.7333 Intermediate Similarity NPC469368
0.7333 Intermediate Similarity NPC19336
0.7333 Intermediate Similarity NPC329080
0.7327 Intermediate Similarity NPC475989
0.7321 Intermediate Similarity NPC475585
0.7321 Intermediate Similarity NPC473577
0.7321 Intermediate Similarity NPC474550
0.7317 Intermediate Similarity NPC471939
0.7317 Intermediate Similarity NPC222307
0.7315 Intermediate Similarity NPC213078
0.7315 Intermediate Similarity NPC476009
0.7315 Intermediate Similarity NPC476315
0.7311 Intermediate Similarity NPC472397
0.7311 Intermediate Similarity NPC171905
0.7311 Intermediate Similarity NPC471125
0.7311 Intermediate Similarity NPC472758
0.7304 Intermediate Similarity NPC115257
0.7304 Intermediate Similarity NPC161816
0.7304 Intermediate Similarity NPC471884
0.7297 Intermediate Similarity NPC473928
0.7297 Intermediate Similarity NPC86077
0.7297 Intermediate Similarity NPC250594
0.7297 Intermediate Similarity NPC149371
0.729 Intermediate Similarity NPC53685
0.729 Intermediate Similarity NPC198853
0.729 Intermediate Similarity NPC470010
0.729 Intermediate Similarity NPC470013
0.729 Intermediate Similarity NPC323008
0.729 Intermediate Similarity NPC262133
0.729 Intermediate Similarity NPC477131
0.7288 Intermediate Similarity NPC277583
0.728 Intermediate Similarity NPC13071
0.7273 Intermediate Similarity NPC473228
0.7273 Intermediate Similarity NPC474718
0.7273 Intermediate Similarity NPC471999

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473911 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
0.8774 High Similarity NPD6371 Approved
0.7982 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD5785 Approved
0.7103 Intermediate Similarity NPD7983 Approved
0.7009 Intermediate Similarity NPD6698 Approved
0.7009 Intermediate Similarity NPD46 Approved
0.699 Remote Similarity NPD7154 Phase 3
0.6961 Remote Similarity NPD5369 Approved
0.6952 Remote Similarity NPD5786 Approved
0.6942 Remote Similarity NPD7115 Discovery
0.6916 Remote Similarity NPD1695 Approved
0.6893 Remote Similarity NPD4269 Approved
0.6893 Remote Similarity NPD4270 Approved
0.6827 Remote Similarity NPD5362 Discontinued
0.6818 Remote Similarity NPD5282 Discontinued
0.675 Remote Similarity NPD6053 Discontinued
0.6731 Remote Similarity NPD6435 Approved
0.6731 Remote Similarity NPD5209 Approved
0.6726 Remote Similarity NPD4225 Approved
0.6699 Remote Similarity NPD4252 Approved
0.6698 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6698 Remote Similarity NPD5363 Approved
0.6697 Remote Similarity NPD7838 Discovery
0.6612 Remote Similarity NPD8297 Approved
0.6577 Remote Similarity NPD6399 Phase 3
0.6555 Remote Similarity NPD6686 Approved
0.6538 Remote Similarity NPD5368 Approved
0.6538 Remote Similarity NPD4822 Approved
0.6538 Remote Similarity NPD4821 Approved
0.6538 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6538 Remote Similarity NPD4819 Approved
0.6538 Remote Similarity NPD4820 Approved
0.6529 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6505 Remote Similarity NPD5784 Clinical (unspecified phase)
0.65 Remote Similarity NPD6373 Approved
0.65 Remote Similarity NPD6372 Approved
0.6489 Remote Similarity NPD7319 Approved
0.6486 Remote Similarity NPD6411 Approved
0.6457 Remote Similarity NPD8515 Approved
0.6457 Remote Similarity NPD8516 Approved
0.6457 Remote Similarity NPD8517 Approved
0.6457 Remote Similarity NPD8513 Phase 3
0.6429 Remote Similarity NPD5779 Approved
0.6429 Remote Similarity NPD5778 Approved
0.6422 Remote Similarity NPD4250 Approved
0.6422 Remote Similarity NPD4251 Approved
0.6415 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6393 Remote Similarity NPD6650 Approved
0.6393 Remote Similarity NPD6649 Approved
0.6389 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6387 Remote Similarity NPD6402 Approved
0.6387 Remote Similarity NPD5739 Approved
0.6387 Remote Similarity NPD6675 Approved
0.6387 Remote Similarity NPD7128 Approved
0.6385 Remote Similarity NPD7507 Approved
0.6378 Remote Similarity NPD6319 Approved
0.6348 Remote Similarity NPD6083 Phase 2
0.6348 Remote Similarity NPD6084 Phase 2
0.6346 Remote Similarity NPD4268 Approved
0.6346 Remote Similarity NPD4271 Approved
0.633 Remote Similarity NPD4249 Approved
0.6316 Remote Similarity NPD5695 Phase 3
0.6306 Remote Similarity NPD6101 Approved
0.6306 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6293 Remote Similarity NPD5696 Approved
0.6281 Remote Similarity NPD6881 Approved
0.6281 Remote Similarity NPD7320 Approved
0.6281 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6281 Remote Similarity NPD6899 Approved
0.6261 Remote Similarity NPD7839 Suspended
0.626 Remote Similarity NPD8130 Phase 1
0.626 Remote Similarity NPD8273 Phase 1
0.6212 Remote Similarity NPD8074 Phase 3
0.621 Remote Similarity NPD6882 Approved
0.6204 Remote Similarity NPD5331 Approved
0.6204 Remote Similarity NPD5332 Approved
0.6198 Remote Similarity NPD5697 Approved
0.6198 Remote Similarity NPD5701 Approved
0.6195 Remote Similarity NPD7637 Suspended
0.6179 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6179 Remote Similarity NPD7102 Approved
0.6179 Remote Similarity NPD7290 Approved
0.6179 Remote Similarity NPD6883 Approved
0.6174 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6168 Remote Similarity NPD4790 Discontinued
0.616 Remote Similarity NPD8133 Approved
0.6154 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6129 Remote Similarity NPD6847 Approved
0.6129 Remote Similarity NPD6617 Approved
0.6129 Remote Similarity NPD6869 Approved
0.6116 Remote Similarity NPD6008 Approved
0.6111 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6098 Remote Similarity NPD6012 Approved
0.6098 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6098 Remote Similarity NPD6013 Approved
0.6098 Remote Similarity NPD6014 Approved
0.6091 Remote Similarity NPD1694 Approved
0.609 Remote Similarity NPD8293 Discontinued
0.6077 Remote Similarity NPD7503 Approved
0.6077 Remote Similarity NPD8033 Approved
0.6068 Remote Similarity NPD7902 Approved
0.6066 Remote Similarity NPD6412 Phase 2
0.6061 Remote Similarity NPD7492 Approved
0.6058 Remote Similarity NPD8039 Approved
0.6053 Remote Similarity NPD5281 Approved
0.6053 Remote Similarity NPD5284 Approved
0.6053 Remote Similarity NPD5693 Phase 1
0.605 Remote Similarity NPD5344 Discontinued
0.6045 Remote Similarity NPD7736 Approved
0.6036 Remote Similarity NPD5330 Approved
0.6036 Remote Similarity NPD7521 Approved
0.6036 Remote Similarity NPD7334 Approved
0.6036 Remote Similarity NPD6684 Approved
0.6036 Remote Similarity NPD6409 Approved
0.6036 Remote Similarity NPD7146 Approved
0.6032 Remote Similarity NPD4632 Approved
0.6018 Remote Similarity NPD5370 Suspended
0.6018 Remote Similarity NPD6051 Approved
0.6017 Remote Similarity NPD7638 Approved
0.6016 Remote Similarity NPD6011 Approved
0.6015 Remote Similarity NPD8451 Approved
0.6015 Remote Similarity NPD6616 Approved
0.6 Remote Similarity NPD8294 Approved
0.6 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6 Remote Similarity NPD6059 Approved
0.6 Remote Similarity NPD6054 Approved
0.6 Remote Similarity NPD8377 Approved
0.5985 Remote Similarity NPD8328 Phase 3
0.5985 Remote Similarity NPD7642 Approved
0.5985 Remote Similarity NPD7604 Phase 2
0.597 Remote Similarity NPD8448 Approved
0.597 Remote Similarity NPD7078 Approved
0.5969 Remote Similarity NPD7328 Approved
0.5969 Remote Similarity NPD7327 Approved
0.5966 Remote Similarity NPD7640 Approved
0.5966 Remote Similarity NPD7639 Approved
0.5954 Remote Similarity NPD8335 Approved
0.5954 Remote Similarity NPD8380 Approved
0.5954 Remote Similarity NPD8296 Approved
0.5954 Remote Similarity NPD8378 Approved
0.5954 Remote Similarity NPD8379 Approved
0.5954 Remote Similarity NPD8444 Approved
0.5948 Remote Similarity NPD7748 Approved
0.5935 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5932 Remote Similarity NPD4755 Approved
0.5929 Remote Similarity NPD6903 Approved
0.5929 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5923 Remote Similarity NPD7516 Approved
0.592 Remote Similarity NPD4634 Approved
0.5913 Remote Similarity NPD4810 Clinical (unspecified phase)
0.5913 Remote Similarity NPD8035 Phase 2
0.5913 Remote Similarity NPD8034 Phase 2
0.5912 Remote Similarity NPD7260 Phase 2
0.5909 Remote Similarity NPD6370 Approved
0.5893 Remote Similarity NPD6098 Approved
0.5891 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5891 Remote Similarity NPD8137 Clinical (unspecified phase)
0.5877 Remote Similarity NPD6904 Approved
0.5877 Remote Similarity NPD6080 Approved
0.5877 Remote Similarity NPD6673 Approved
0.5877 Remote Similarity NPD4753 Phase 2
0.5868 Remote Similarity NPD5211 Phase 2
0.5865 Remote Similarity NPD7830 Approved
0.5865 Remote Similarity NPD7829 Approved
0.5856 Remote Similarity NPD4786 Approved
0.5841 Remote Similarity NPD7524 Approved
0.584 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5839 Remote Similarity NPD8390 Approved
0.5839 Remote Similarity NPD8391 Approved
0.5839 Remote Similarity NPD8392 Approved
0.5833 Remote Similarity NPD6921 Approved
0.5833 Remote Similarity NPD8274 Clinical (unspecified phase)
0.5833 Remote Similarity NPD5285 Approved
0.5833 Remote Similarity NPD6015 Approved
0.5833 Remote Similarity NPD5286 Approved
0.5833 Remote Similarity NPD6648 Approved
0.5833 Remote Similarity NPD4700 Approved
0.5833 Remote Similarity NPD6016 Approved
0.5833 Remote Similarity NPD4696 Approved
0.5821 Remote Similarity NPD8340 Approved
0.5821 Remote Similarity NPD8341 Approved
0.5821 Remote Similarity NPD8342 Approved
0.5821 Remote Similarity NPD8299 Approved
0.5816 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5814 Remote Similarity NPD6274 Approved
0.5812 Remote Similarity NPD7900 Approved
0.5812 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5812 Remote Similarity NPD6001 Approved
0.5802 Remote Similarity NPD7101 Approved
0.5802 Remote Similarity NPD7100 Approved
0.5789 Remote Similarity NPD6672 Approved
0.5789 Remote Similarity NPD5988 Approved
0.5789 Remote Similarity NPD5737 Approved
0.5789 Remote Similarity NPD8080 Discontinued
0.5776 Remote Similarity NPD6050 Approved
0.5772 Remote Similarity NPD5141 Approved
0.5769 Remote Similarity NPD6009 Approved
0.5766 Remote Similarity NPD6110 Phase 1
0.5763 Remote Similarity NPD5210 Approved

Structure

External Identifiers

PubChem CID   44566861
ChEMBL   CHEMBL455034
ZINC  

Physicochemical Properties

Molecular Weight:  714.43
ALogP:  -4.3673
MLogP:  4.87
XLogP:  9.477
# Rotatable Bonds:  31
Polar Surface Area:  142.5
# H-Bond Aceptor:  10
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  51

Download Data

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