Natural Product: NPC68293

Natural Product ID:  NPC68293
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C43H59NO10
Standard InCHIKey:  GDGBRRRMORLISP-OPKSDLHVSA-N
Standard InCHI:  InChI=1S/C43H59NO10/c1-19(2)26-11-13-41(8,39(51)40(53-10)44-23(7)45)33(26)28-16-25(17-30(47)35(48)21(28)5)43(52)18-24-15-29(46)36(49)22(6)31-32(24)37(54-43)38(50)42(9)14-12-27(20(3)4)34(31)42/h15-17,19-20,26-27,33-34,37-40,50-52H,11-14,18H2,1-10H3,(H,44,45)(H,46,49)(H,47,48)/t26-,27-,33-,34-,37-,38+,39+,40-,41-,42-,43+/m1/s1
Canonical SMILES:  CO[C@H]([C@@H]([C@]1(C)CC[C@@H]([C@@H]1c1cc(cc(c(=O)c1C)O)[C@]1(O)Cc2cc(O)c(=O)c(c3c2[C@@H](O1)[C@H](O)[C@]1([C@@H]3[C@H](CC1)C(C)C)C)C)C(C)C)O)N=C(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
NPO32713 phorbas gukhulensis Species Hymedesmiidae Eukaryota Korea PMID[24025124]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens LC50 = 100 nM 10096871
NPT111 Cell Line K562 Homo sapiens LC50 = 120 nM 18443129
NPT2890 Protein Complex Sodium/potassium-transporting ATPase Homo sapiens IC50 > 100000 nM Open TG-GATES in vivo data: Hematology
NPT2 Others Unspecified IC50 > 100000 nM 19258270
NPT2 Others Unspecified IC50 > 100000 nM 18710917

  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 NPC68293 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 NPC262845
0.8729 High Similarity NPC82759
0.824 Intermediate Similarity NPC290261
0.7872 Intermediate Similarity NPC80738
0.768 Intermediate Similarity NPC136922
0.697 Remote Similarity NPC470276
0.6855 Remote Similarity NPC169365
0.6855 Remote Similarity NPC197447
0.6822 Remote Similarity NPC181298
0.6822 Remote Similarity NPC238850
0.6806 Remote Similarity NPC476558
0.6803 Remote Similarity NPC473153
0.6767 Remote Similarity NPC476190
0.6748 Remote Similarity NPC141401
0.6746 Remote Similarity NPC293299
0.6746 Remote Similarity NPC45365
0.6744 Remote Similarity NPC475274
0.6718 Remote Similarity NPC328074
0.6718 Remote Similarity NPC470025
0.6718 Remote Similarity NPC317460
0.6718 Remote Similarity NPC321272
0.6694 Remote Similarity NPC189651
0.6694 Remote Similarity NPC475098
0.6693 Remote Similarity NPC272632
0.6691 Remote Similarity NPC233500
0.6667 Remote Similarity NPC219656
0.6667 Remote Similarity NPC470027
0.6667 Remote Similarity NPC61717
0.6667 Remote Similarity NPC244380
0.6667 Remote Similarity NPC175614
0.6642 Remote Similarity NPC470275
0.6642 Remote Similarity NPC196130
0.6641 Remote Similarity NPC284162
0.6641 Remote Similarity NPC17791
0.6641 Remote Similarity NPC255401
0.664 Remote Similarity NPC227865
0.6617 Remote Similarity NPC475163
0.6617 Remote Similarity NPC216665
0.6617 Remote Similarity NPC43213
0.6615 Remote Similarity NPC257853
0.6615 Remote Similarity NPC475065
0.6596 Remote Similarity NPC134902
0.6594 Remote Similarity NPC219804
0.6593 Remote Similarity NPC473617
0.6593 Remote Similarity NPC311554
0.6593 Remote Similarity NPC476956
0.6593 Remote Similarity NPC257457
0.6593 Remote Similarity NPC473828
0.6589 Remote Similarity NPC475176
0.6583 Remote Similarity NPC210216
0.6579 Remote Similarity NPC298005
0.6579 Remote Similarity NPC36463
0.6577 Remote Similarity NPC298469
0.6577 Remote Similarity NPC284625
0.6577 Remote Similarity NPC69176
0.6567 Remote Similarity NPC470075
0.6567 Remote Similarity NPC172197
0.6567 Remote Similarity NPC274293
0.6565 Remote Similarity NPC316708
0.6565 Remote Similarity NPC328052
0.6565 Remote Similarity NPC122926
0.6565 Remote Similarity NPC113012
0.6562 Remote Similarity NPC475585
0.6562 Remote Similarity NPC474550
0.6562 Remote Similarity NPC473577
0.6557 Remote Similarity NPC53555
0.6555 Remote Similarity NPC473097
0.6549 Remote Similarity NPC254823
0.6547 Remote Similarity NPC145238
0.6547 Remote Similarity NPC3381
0.6544 Remote Similarity NPC473274
0.6544 Remote Similarity NPC473270
0.6538 Remote Similarity NPC473482
0.6538 Remote Similarity NPC88701
0.6538 Remote Similarity NPC475418
0.6538 Remote Similarity NPC318363
0.6535 Remote Similarity NPC114540
0.6535 Remote Similarity NPC32577
0.6535 Remote Similarity NPC155332
0.6533 Remote Similarity NPC214821
0.6533 Remote Similarity NPC298067
0.6532 Remote Similarity NPC190713
0.6532 Remote Similarity NPC16967
0.6531 Remote Similarity NPC180770
0.6531 Remote Similarity NPC302276
0.6522 Remote Similarity NPC469943
0.6519 Remote Similarity NPC271621
0.6519 Remote Similarity NPC59751
0.6519 Remote Similarity NPC471120
0.6519 Remote Similarity NPC471117
0.6519 Remote Similarity NPC27413
0.6519 Remote Similarity NPC471854
0.6515 Remote Similarity NPC475480
0.6515 Remote Similarity NPC470076
0.6515 Remote Similarity NPC471484
0.6515 Remote Similarity NPC262083
0.6515 Remote Similarity NPC475668
0.6515 Remote Similarity NPC470026
0.6515 Remote Similarity NPC473921
0.6512 Remote Similarity NPC266570
0.6512 Remote Similarity NPC475414
0.6512 Remote Similarity NPC475290
0.6512 Remote Similarity NPC173172
0.6508 Remote Similarity NPC266955
0.6508 Remote Similarity NPC290802
0.6508 Remote Similarity NPC473510
0.6508 Remote Similarity NPC230546
0.6507 Remote Similarity NPC246209
0.6503 Remote Similarity NPC139585
0.65 Remote Similarity NPC60765
0.6493 Remote Similarity NPC67259
0.6493 Remote Similarity NPC147912
0.6484 Remote Similarity NPC475334
0.6484 Remote Similarity NPC474124
0.6484 Remote Similarity NPC183570
0.6484 Remote Similarity NPC85742
0.6484 Remote Similarity NPC297617
0.6484 Remote Similarity NPC475623
0.6484 Remote Similarity NPC280566
0.6484 Remote Similarity NPC473694
0.648 Remote Similarity NPC202705
0.648 Remote Similarity NPC471815
0.6479 Remote Similarity NPC471407
0.6471 Remote Similarity NPC471121
0.6471 Remote Similarity NPC471118
0.6467 Remote Similarity NPC193579
0.6467 Remote Similarity NPC141669
0.6466 Remote Similarity NPC476269
0.6462 Remote Similarity NPC329048
0.6462 Remote Similarity NPC330011
0.6462 Remote Similarity NPC473284
0.6458 Remote Similarity NPC476097
0.6458 Remote Similarity NPC470427
0.6458 Remote Similarity NPC327664
0.6457 Remote Similarity NPC115899
0.6454 Remote Similarity NPC204556
0.6449 Remote Similarity NPC52839
0.6449 Remote Similarity NPC473256
0.6449 Remote Similarity NPC470878
0.6444 Remote Similarity NPC207637
0.6444 Remote Similarity NPC478216
0.6443 Remote Similarity NPC162910
0.6439 Remote Similarity NPC475563
0.6439 Remote Similarity NPC177047
0.6439 Remote Similarity NPC475134
0.6434 Remote Similarity NPC181104
0.6434 Remote Similarity NPC288502
0.6434 Remote Similarity NPC475331
0.6434 Remote Similarity NPC161775
0.6434 Remote Similarity NPC121518
0.6434 Remote Similarity NPC473543
0.6434 Remote Similarity NPC475335
0.6434 Remote Similarity NPC103298
0.6434 Remote Similarity NPC80809
0.6434 Remote Similarity NPC201144
0.6429 Remote Similarity NPC278386
0.6429 Remote Similarity NPC57079
0.6429 Remote Similarity NPC92275
0.6429 Remote Similarity NPC124512
0.6429 Remote Similarity NPC108368
0.6429 Remote Similarity NPC159763
0.6429 Remote Similarity NPC475653
0.6429 Remote Similarity NPC474440
0.6423 Remote Similarity NPC9674
0.6423 Remote Similarity NPC476529
0.6423 Remote Similarity NPC475775
0.6423 Remote Similarity NPC162615
0.6423 Remote Similarity NPC205034
0.6423 Remote Similarity NPC38232
0.6423 Remote Similarity NPC19028
0.6423 Remote Similarity NPC214697
0.6423 Remote Similarity NPC152778
0.6418 Remote Similarity NPC5485
0.6417 Remote Similarity NPC473891
0.6414 Remote Similarity NPC192334
0.6414 Remote Similarity NPC60150
0.6412 Remote Similarity NPC470024
0.6412 Remote Similarity NPC181994
0.6412 Remote Similarity NPC220155
0.6408 Remote Similarity NPC329919
0.6408 Remote Similarity NPC477793
0.6408 Remote Similarity NPC270109
0.6406 Remote Similarity NPC476471
0.6406 Remote Similarity NPC475344
0.6403 Remote Similarity NPC162009
0.6403 Remote Similarity NPC257017
0.6403 Remote Similarity NPC27335
0.64 Remote Similarity NPC88009
0.64 Remote Similarity NPC803
0.6397 Remote Similarity NPC286528
0.6397 Remote Similarity NPC20302
0.6397 Remote Similarity NPC140055
0.6397 Remote Similarity NPC185287
0.6397 Remote Similarity NPC167606
0.6393 Remote Similarity NPC182136
0.6393 Remote Similarity NPC310479
0.6391 Remote Similarity NPC474315
0.6391 Remote Similarity NPC29501
0.6389 Remote Similarity NPC473485
0.6389 Remote Similarity NPC476824

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC68293 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
0.6641 Remote Similarity NPD6640 Phase 3
0.6429 Remote Similarity NPD4225 Approved
0.6397 Remote Similarity NPD7115 Discovery
0.6391 Remote Similarity NPD7116 Clinical (unspecified phase)
0.6331 Remote Similarity NPD7503 Approved
0.6276 Remote Similarity NPD7260 Phase 2
0.6234 Remote Similarity NPD7625 Phase 1
0.6233 Remote Similarity NPD6845 Suspended
0.6214 Remote Similarity NPD8033 Approved
0.6187 Remote Similarity NPD7516 Approved
0.617 Remote Similarity NPD7623 Phase 3
0.617 Remote Similarity NPD7624 Clinical (unspecified phase)
0.6148 Remote Similarity NPD7524 Approved
0.6143 Remote Similarity NPD8294 Approved
0.6143 Remote Similarity NPD8377 Approved
0.6124 Remote Similarity NPD7640 Approved
0.6124 Remote Similarity NPD7639 Approved
0.6115 Remote Similarity NPD7328 Approved
0.6115 Remote Similarity NPD7327 Approved
0.6111 Remote Similarity NPD7746 Phase 1
0.6111 Remote Similarity NPD7747 Phase 1
0.6103 Remote Similarity NPD8297 Approved
0.6099 Remote Similarity NPD8335 Approved
0.6099 Remote Similarity NPD8380 Approved
0.6099 Remote Similarity NPD8379 Approved
0.6099 Remote Similarity NPD8296 Approved
0.6099 Remote Similarity NPD7739 Clinical (unspecified phase)
0.6099 Remote Similarity NPD8378 Approved
0.6047 Remote Similarity NPD7638 Approved
0.6043 Remote Similarity NPD7505 Discontinued
0.6028 Remote Similarity NPD7299 Clinical (unspecified phase)
0.6 Remote Similarity NPD6404 Discontinued
0.5986 Remote Similarity NPD6909 Approved
0.5986 Remote Similarity NPD6908 Approved
0.5985 Remote Similarity NPD6882 Approved
0.5954 Remote Similarity NPD5344 Discontinued
0.5931 Remote Similarity NPD7507 Approved
0.5929 Remote Similarity NPD7500 Approved
0.5926 Remote Similarity NPD7320 Approved
0.5926 Remote Similarity NPD6686 Approved
0.5923 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5921 Remote Similarity NPD6334 Approved
0.5921 Remote Similarity NPD6333 Approved
0.5915 Remote Similarity NPD6054 Approved
0.5906 Remote Similarity NPD5781 Clinical (unspecified phase)
0.5896 Remote Similarity NPD5357 Phase 1
0.5894 Remote Similarity NPD8387 Clinical (unspecified phase)
0.589 Remote Similarity NPD8074 Phase 3
0.5878 Remote Similarity NPD6648 Approved
0.5873 Remote Similarity NPD7838 Discovery
0.5839 Remote Similarity NPD6420 Discontinued
0.5839 Remote Similarity NPD6421 Discontinued
0.5839 Remote Similarity NPD6371 Approved
0.5833 Remote Similarity NPD6370 Approved
0.5828 Remote Similarity NPD8415 Approved
0.5827 Remote Similarity NPD7637 Suspended
0.582 Remote Similarity NPD6695 Phase 3
0.5811 Remote Similarity NPD7319 Approved
0.5809 Remote Similarity NPD6899 Approved
0.5809 Remote Similarity NPD6881 Approved
0.5806 Remote Similarity NPD5279 Phase 3
0.5804 Remote Similarity NPD6059 Approved
0.5797 Remote Similarity NPD6649 Approved
0.5797 Remote Similarity NPD8130 Phase 1
0.5797 Remote Similarity NPD6650 Approved
0.5793 Remote Similarity NPD7604 Phase 2
0.5789 Remote Similarity NPD5211 Phase 2
0.5786 Remote Similarity NPD7274 Clinical (unspecified phase)
0.5782 Remote Similarity NPD7078 Approved
0.5778 Remote Similarity NPD7128 Approved
0.5778 Remote Similarity NPD6402 Approved
0.5778 Remote Similarity NPD6675 Approved
0.5778 Remote Similarity NPD5739 Approved
0.5772 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5772 Remote Similarity NPD7338 Clinical (unspecified phase)
0.5772 Remote Similarity NPD6914 Discontinued
0.5769 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5769 Remote Similarity NPD5222 Approved
0.5769 Remote Similarity NPD5221 Approved
0.5766 Remote Similarity NPD6373 Approved
0.5766 Remote Similarity NPD6372 Approved
0.5764 Remote Similarity NPD6016 Approved
0.5764 Remote Similarity NPD6015 Approved
0.5763 Remote Similarity NPD6933 Approved
0.576 Remote Similarity NPD7750 Discontinued
0.5753 Remote Similarity NPD7492 Approved
0.5743 Remote Similarity NPD7736 Approved
0.5735 Remote Similarity NPD5697 Approved
0.5735 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5725 Remote Similarity NPD7102 Approved
0.5725 Remote Similarity NPD7290 Approved
0.5725 Remote Similarity NPD5173 Approved
0.5725 Remote Similarity NPD6883 Approved
0.5724 Remote Similarity NPD5988 Approved
0.5714 Remote Similarity NPD6616 Approved
0.5714 Remote Similarity NPD4632 Approved
0.5714 Remote Similarity NPD4159 Approved
0.5704 Remote Similarity NPD6009 Approved
0.5704 Remote Similarity NPD5141 Approved
0.5703 Remote Similarity NPD6079 Approved
0.5695 Remote Similarity NPD8338 Approved
0.5694 Remote Similarity NPD6319 Approved
0.5693 Remote Similarity NPD6011 Approved
0.5685 Remote Similarity NPD7829 Approved
0.5685 Remote Similarity NPD7830 Approved
0.5683 Remote Similarity NPD6847 Approved
0.5683 Remote Similarity NPD6869 Approved
0.5683 Remote Similarity NPD6617 Approved
0.5676 Remote Similarity NPD8293 Discontinued
0.5672 Remote Similarity NPD7632 Discontinued
0.5669 Remote Similarity NPD5328 Approved
0.5662 Remote Similarity NPD7333 Discontinued
0.5657 Remote Similarity NPD8470 Clinical (unspecified phase)
0.5652 Remote Similarity NPD6013 Approved
0.5652 Remote Similarity NPD6014 Approved
0.5652 Remote Similarity NPD6012 Approved
0.5649 Remote Similarity NPD4697 Phase 3
0.5643 Remote Similarity NPD6053 Discontinued
0.5642 Remote Similarity NPD8407 Phase 2
0.5639 Remote Similarity NPD4696 Approved
0.5639 Remote Similarity NPD5285 Approved
0.5639 Remote Similarity NPD5286 Approved
0.563 Remote Similarity NPD1407 Approved
0.5625 Remote Similarity NPD5785 Approved
0.5625 Remote Similarity NPD3168 Discontinued
0.562 Remote Similarity NPD5701 Approved
0.562 Remote Similarity NPD6929 Approved
0.562 Remote Similarity NPD6412 Phase 2
0.5606 Remote Similarity NPD4755 Approved
0.5606 Remote Similarity NPD6083 Phase 2
0.5606 Remote Similarity NPD6084 Phase 2
0.5604 Remote Similarity NPD8360 Approved
0.5604 Remote Similarity NPD8361 Approved

Structure

External Identifiers

PubChem CID   73355247
ChEMBL   CHEMBL2419837
ZINC  

Physicochemical Properties

Molecular Weight:  749.41
ALogP:  0.6286
MLogP:  4.98
XLogP:  5.518
# Rotatable Bonds:  24
Polar Surface Area:  186.34
# H-Bond Aceptor:  11
# H-Bond Donor:  6
# Rings:  6
# Heavy Atoms:  54

Download Data

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