Natural Product: NPC94377

Natural Product ID:  NPC94377
Common Name:   Junceellolide K
IUPAC Name:  
Synonyms:   Junceellolide K
Molecular Formula:   C26H36O10
Standard InCHIKey:  BBSUFGRORDMNJA-WCPNWAJNSA-N
Standard InCHI:  InChI=1S/C26H36O10/c1-13-7-8-18(33-15(3)27)24(6)19(34-16(4)28)9-10-25(12-32-25)21(24)22(35-17(5)29)26(31)14(2)23(30)36-20(26)11-13/h11,14,18-22,31H,7-10,12H2,1-6H3/b13-11-/t14-,18-,19-,20-,21+,22-,24-,25-,26-/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1CC/C(=C[C@H]2[C@@]([C@H]([C@@H]3[C@]1(C)[C@H](CC[C@]13OC1)OC(=O)C)OC(=O)C)(O)[C@@H](C)C(=O)O2)/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
NPO3708 Junceella fragilis Species Ellisellidae Eukaryota PMID[10075754]
NPO3708 Junceella fragilis Species Ellisellidae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 13.89 % 16499329
NPT2 Others Unspecified Inhibition = 15.04 % 16499329

  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 NPC94377 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
0.9429 High Similarity NPC73314
0.9423 High Similarity NPC473877
0.934 High Similarity NPC474333
0.932 High Similarity NPC42662
0.93 High Similarity NPC183571
0.9252 High Similarity NPC296822
0.9208 High Similarity NPC474165
0.9208 High Similarity NPC69171
0.9135 High Similarity NPC475922
0.9126 High Similarity NPC475510
0.9126 High Similarity NPC475587
0.9083 High Similarity NPC470186
0.9048 High Similarity NPC161816
0.9048 High Similarity NPC473843
0.9048 High Similarity NPC473975
0.9048 High Similarity NPC115257
0.9048 High Similarity NPC473594
0.9048 High Similarity NPC474586
0.9038 High Similarity NPC473939
0.9038 High Similarity NPC473595
0.8962 High Similarity NPC194619
0.8868 High Similarity NPC281624
0.8846 High Similarity NPC16313
0.8846 High Similarity NPC9303
0.8839 High Similarity NPC282003
0.8839 High Similarity NPC310035
0.8839 High Similarity NPC188222
0.8835 High Similarity NPC474166
0.8835 High Similarity NPC19239
0.8824 High Similarity NPC98225
0.8762 High Similarity NPC474421
0.8762 High Similarity NPC326994
0.8762 High Similarity NPC72813
0.8762 High Similarity NPC194620
0.8762 High Similarity NPC324327
0.8761 High Similarity NPC303006
0.8738 High Similarity NPC474709
0.8727 High Similarity NPC476713
0.8727 High Similarity NPC476712
0.8679 High Similarity NPC169888
0.8679 High Similarity NPC14862
0.8679 High Similarity NPC327286
0.8679 High Similarity NPC55972
0.8679 High Similarity NPC233379
0.8679 High Similarity NPC474664
0.8667 High Similarity NPC475802
0.8661 High Similarity NPC475003
0.8654 High Similarity NPC4620
0.8636 High Similarity NPC476711
0.8636 High Similarity NPC476710
0.8624 High Similarity NPC477126
0.8598 High Similarity NPC15218
0.8571 High Similarity NPC220964
0.8571 High Similarity NPC475676
0.8455 Intermediate Similarity NPC89018
0.8396 Intermediate Similarity NPC146731
0.8378 Intermediate Similarity NPC226608
0.8378 Intermediate Similarity NPC88867
0.8365 Intermediate Similarity NPC474718
0.8364 Intermediate Similarity NPC269530
0.8364 Intermediate Similarity NPC317687
0.8333 Intermediate Similarity NPC128210
0.8304 Intermediate Similarity NPC470466
0.8273 Intermediate Similarity NPC317107
0.825 Intermediate Similarity NPC470185
0.8241 Intermediate Similarity NPC187435
0.8241 Intermediate Similarity NPC67321
0.823 Intermediate Similarity NPC469684
0.823 Intermediate Similarity NPC58662
0.823 Intermediate Similarity NPC53396
0.823 Intermediate Similarity NPC98249
0.8224 Intermediate Similarity NPC283850
0.8224 Intermediate Similarity NPC296950
0.819 Intermediate Similarity NPC23786
0.819 Intermediate Similarity NPC470265
0.8182 Intermediate Similarity NPC472215
0.8182 Intermediate Similarity NPC11491
0.8182 Intermediate Similarity NPC475134
0.8182 Intermediate Similarity NPC475563
0.8182 Intermediate Similarity NPC140409
0.8182 Intermediate Similarity NPC472214
0.8182 Intermediate Similarity NPC156248
0.8165 Intermediate Similarity NPC469916
0.8165 Intermediate Similarity NPC151393
0.8165 Intermediate Similarity NPC472439
0.8158 Intermediate Similarity NPC284707
0.8155 Intermediate Similarity NPC475659
0.8148 Intermediate Similarity NPC470979
0.8148 Intermediate Similarity NPC470975
0.8148 Intermediate Similarity NPC103088
0.8142 Intermediate Similarity NPC270478
0.8131 Intermediate Similarity NPC159533
0.8131 Intermediate Similarity NPC99510
0.8131 Intermediate Similarity NPC61442
0.8113 Intermediate Similarity NPC164598
0.8113 Intermediate Similarity NPC308824
0.8113 Intermediate Similarity NPC474339
0.8108 Intermediate Similarity NPC473921
0.8108 Intermediate Similarity NPC474846
0.8108 Intermediate Similarity NPC469655
0.8108 Intermediate Similarity NPC475480
0.8108 Intermediate Similarity NPC475668
0.8108 Intermediate Similarity NPC469656
0.8108 Intermediate Similarity NPC170294
0.8103 Intermediate Similarity NPC67569
0.8095 Intermediate Similarity NPC222303
0.8087 Intermediate Similarity NPC472667
0.8077 Intermediate Similarity NPC473859
0.8077 Intermediate Similarity NPC279621
0.8077 Intermediate Similarity NPC230800
0.8073 Intermediate Similarity NPC112780
0.807 Intermediate Similarity NPC473656
0.807 Intermediate Similarity NPC475323
0.807 Intermediate Similarity NPC176513
0.807 Intermediate Similarity NPC478204
0.807 Intermediate Similarity NPC473590
0.807 Intermediate Similarity NPC470775
0.8058 Intermediate Similarity NPC161998
0.8056 Intermediate Similarity NPC258532
0.8037 Intermediate Similarity NPC472552
0.8037 Intermediate Similarity NPC478156
0.8037 Intermediate Similarity NPC471148
0.8037 Intermediate Similarity NPC476081
0.8019 Intermediate Similarity NPC288876
0.8019 Intermediate Similarity NPC272223
0.8018 Intermediate Similarity NPC235014
0.8017 Intermediate Similarity NPC143755
0.8 Intermediate Similarity NPC134454
0.8 Intermediate Similarity NPC474395
0.8 Intermediate Similarity NPC108581
0.8 Intermediate Similarity NPC181994
0.8 Intermediate Similarity NPC478206
0.8 Intermediate Similarity NPC17326
0.8 Intermediate Similarity NPC124676
0.8 Intermediate Similarity NPC146280
0.8 Intermediate Similarity NPC73911
0.8 Intermediate Similarity NPC478205
0.8 Intermediate Similarity NPC322903
0.8 Intermediate Similarity NPC475372
0.8 Intermediate Similarity NPC236999
0.8 Intermediate Similarity NPC306265
0.7983 Intermediate Similarity NPC473635
0.7982 Intermediate Similarity NPC234858
0.7982 Intermediate Similarity NPC477509
0.7982 Intermediate Similarity NPC470980
0.7982 Intermediate Similarity NPC154363
0.7982 Intermediate Similarity NPC471127
0.7982 Intermediate Similarity NPC472655
0.7981 Intermediate Similarity NPC471141
0.7966 Intermediate Similarity NPC469789
0.7966 Intermediate Similarity NPC473802
0.7966 Intermediate Similarity NPC67251
0.7966 Intermediate Similarity NPC129992
0.7966 Intermediate Similarity NPC472399
0.7965 Intermediate Similarity NPC75167
0.7965 Intermediate Similarity NPC471204
0.7965 Intermediate Similarity NPC264153
0.7965 Intermediate Similarity NPC311592
0.7963 Intermediate Similarity NPC474775
0.7963 Intermediate Similarity NPC475321
0.7963 Intermediate Similarity NPC156681
0.7963 Intermediate Similarity NPC72842
0.7961 Intermediate Similarity NPC476300
0.7944 Intermediate Similarity NPC472554
0.7931 Intermediate Similarity NPC312536
0.7928 Intermediate Similarity NPC469370
0.7928 Intermediate Similarity NPC273433
0.7928 Intermediate Similarity NPC5475
0.7928 Intermediate Similarity NPC284828
0.7928 Intermediate Similarity NPC475191
0.7928 Intermediate Similarity NPC173905
0.7928 Intermediate Similarity NPC218853
0.7928 Intermediate Similarity NPC472216
0.7925 Intermediate Similarity NPC216478
0.7925 Intermediate Similarity NPC124512
0.7925 Intermediate Similarity NPC159763
0.7925 Intermediate Similarity NPC278386
0.7917 Intermediate Similarity NPC470780
0.7913 Intermediate Similarity NPC10721
0.7913 Intermediate Similarity NPC13713
0.7909 Intermediate Similarity NPC143609
0.7909 Intermediate Similarity NPC180744
0.7909 Intermediate Similarity NPC477513
0.7909 Intermediate Similarity NPC293512
0.7905 Intermediate Similarity NPC21302
0.7905 Intermediate Similarity NPC473964
0.7905 Intermediate Similarity NPC11396
0.7905 Intermediate Similarity NPC476315
0.7899 Intermediate Similarity NPC473709
0.7899 Intermediate Similarity NPC8369
0.7899 Intermediate Similarity NPC473919
0.7895 Intermediate Similarity NPC181145
0.7895 Intermediate Similarity NPC472400
0.7895 Intermediate Similarity NPC117712
0.789 Intermediate Similarity NPC475585
0.789 Intermediate Similarity NPC239162
0.789 Intermediate Similarity NPC473577
0.789 Intermediate Similarity NPC474550
0.7885 Intermediate Similarity NPC474247
0.7881 Intermediate Similarity NPC170538

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC94377 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
0.7925 Intermediate Similarity NPD4225 Approved
0.7857 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7768 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7767 Intermediate Similarity NPD6698 Approved
0.7767 Intermediate Similarity NPD46 Approved
0.7759 Intermediate Similarity NPD7115 Discovery
0.7615 Intermediate Similarity NPD5344 Discontinued
0.7589 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7589 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD6371 Approved
0.7522 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7522 Intermediate Similarity NPD6686 Approved
0.7364 Intermediate Similarity NPD6648 Approved
0.7282 Intermediate Similarity NPD1733 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7638 Approved
0.7222 Intermediate Similarity NPD7319 Approved
0.7213 Intermediate Similarity NPD8513 Phase 3
0.7213 Intermediate Similarity NPD8516 Approved
0.7213 Intermediate Similarity NPD8517 Approved
0.7213 Intermediate Similarity NPD8515 Approved
0.7207 Intermediate Similarity NPD7640 Approved
0.7207 Intermediate Similarity NPD7639 Approved
0.7196 Intermediate Similarity NPD7983 Approved
0.712 Intermediate Similarity NPD7507 Approved
0.7103 Intermediate Similarity NPD7838 Discovery
0.7043 Intermediate Similarity NPD6008 Approved
0.7034 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.6992 Remote Similarity NPD6319 Approved
0.6972 Remote Similarity NPD5778 Approved
0.6972 Remote Similarity NPD5779 Approved
0.6972 Remote Similarity NPD6399 Phase 3
0.6967 Remote Similarity NPD7328 Approved
0.6967 Remote Similarity NPD7327 Approved
0.6935 Remote Similarity NPD6921 Approved
0.6929 Remote Similarity NPD8074 Phase 3
0.6917 Remote Similarity NPD8133 Approved
0.6911 Remote Similarity NPD7516 Approved
0.6909 Remote Similarity NPD5282 Discontinued
0.6885 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6864 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6852 Remote Similarity NPD1695 Approved
0.6847 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6825 Remote Similarity NPD8328 Phase 3
0.68 Remote Similarity NPD8033 Approved
0.6772 Remote Similarity NPD7492 Approved
0.6727 Remote Similarity NPD7637 Suspended
0.6727 Remote Similarity NPD6411 Approved
0.6726 Remote Similarity NPD7902 Approved
0.6723 Remote Similarity NPD6373 Approved
0.6723 Remote Similarity NPD6372 Approved
0.672 Remote Similarity NPD8294 Approved
0.672 Remote Similarity NPD6054 Approved
0.672 Remote Similarity NPD8377 Approved
0.672 Remote Similarity NPD6059 Approved
0.6719 Remote Similarity NPD6616 Approved
0.6694 Remote Similarity NPD8297 Approved
0.6667 Remote Similarity NPD8296 Approved
0.6667 Remote Similarity NPD8380 Approved
0.6667 Remote Similarity NPD8335 Approved
0.6667 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8379 Approved
0.6667 Remote Similarity NPD7078 Approved
0.6667 Remote Similarity NPD8293 Discontinued
0.6667 Remote Similarity NPD8378 Approved
0.6639 Remote Similarity NPD4632 Approved
0.6638 Remote Similarity NPD7632 Discontinued
0.6636 Remote Similarity NPD5785 Approved
0.6636 Remote Similarity NPD1694 Approved
0.6615 Remote Similarity NPD7736 Approved
0.6614 Remote Similarity NPD6370 Approved
0.6612 Remote Similarity NPD6649 Approved
0.6612 Remote Similarity NPD6650 Approved
0.661 Remote Similarity NPD6675 Approved
0.661 Remote Similarity NPD5739 Approved
0.661 Remote Similarity NPD6402 Approved
0.661 Remote Similarity NPD7128 Approved
0.6607 Remote Similarity NPD7748 Approved
0.6577 Remote Similarity NPD8035 Phase 2
0.6577 Remote Similarity NPD8034 Phase 2
0.6557 Remote Similarity NPD6053 Discontinued
0.6555 Remote Similarity NPD6412 Phase 2
0.6552 Remote Similarity NPD1700 Approved
0.6545 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6545 Remote Similarity NPD6101 Approved
0.6535 Remote Similarity NPD6015 Approved
0.6535 Remote Similarity NPD6016 Approved
0.6535 Remote Similarity NPD7503 Approved
0.6522 Remote Similarity NPD8029 Clinical (unspecified phase)
0.65 Remote Similarity NPD6899 Approved
0.65 Remote Similarity NPD6881 Approved
0.65 Remote Similarity NPD7320 Approved
0.6486 Remote Similarity NPD3168 Discontinued
0.6484 Remote Similarity NPD5988 Approved
0.6462 Remote Similarity NPD8273 Phase 1
0.646 Remote Similarity NPD7900 Approved
0.646 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6434 Remote Similarity NPD7604 Phase 2
0.6429 Remote Similarity NPD7515 Phase 2
0.6423 Remote Similarity NPD6882 Approved
0.6417 Remote Similarity NPD5701 Approved
0.6417 Remote Similarity NPD5697 Approved
0.6415 Remote Similarity NPD5369 Approved
0.6404 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6393 Remote Similarity NPD4634 Approved
0.6393 Remote Similarity NPD7102 Approved
0.6393 Remote Similarity NPD7290 Approved
0.6393 Remote Similarity NPD6883 Approved
0.6364 Remote Similarity NPD4250 Approved
0.6364 Remote Similarity NPD4251 Approved
0.6364 Remote Similarity NPD7524 Approved
0.6355 Remote Similarity NPD4269 Approved
0.6355 Remote Similarity NPD4270 Approved
0.6349 Remote Similarity NPD6009 Approved
0.6348 Remote Similarity NPD7839 Suspended
0.6343 Remote Similarity NPD7260 Phase 2
0.6341 Remote Similarity NPD6847 Approved
0.6341 Remote Similarity NPD8130 Phase 1
0.6341 Remote Similarity NPD6617 Approved
0.6341 Remote Similarity NPD6869 Approved
0.6311 Remote Similarity NPD6012 Approved
0.6311 Remote Similarity NPD6013 Approved
0.6311 Remote Similarity NPD6014 Approved
0.6308 Remote Similarity NPD7642 Approved
0.6296 Remote Similarity NPD7154 Phase 3
0.6293 Remote Similarity NPD6083 Phase 2
0.6293 Remote Similarity NPD6084 Phase 2
0.6279 Remote Similarity NPD5983 Phase 2
0.6273 Remote Similarity NPD4249 Approved
0.6273 Remote Similarity NPD5786 Approved
0.6273 Remote Similarity NPD3618 Phase 1
0.6261 Remote Similarity NPD5695 Phase 3
0.6241 Remote Similarity NPD6033 Approved
0.6239 Remote Similarity NPD5696 Approved
0.6239 Remote Similarity NPD4786 Approved
0.6239 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6232 Remote Similarity NPD7966 Clinical (unspecified phase)
0.623 Remote Similarity NPD6011 Approved
0.6218 Remote Similarity NPD3653 Clinical (unspecified phase)
0.6212 Remote Similarity NPD8451 Approved
0.6212 Remote Similarity NPD6336 Discontinued
0.621 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6204 Remote Similarity NPD3667 Approved
0.6183 Remote Similarity NPD7830 Approved
0.6183 Remote Similarity NPD7829 Approved
0.6182 Remote Similarity NPD5363 Approved
0.6182 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6182 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6176 Remote Similarity NPD6845 Suspended
0.6168 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6168 Remote Similarity NPD4821 Approved
0.6168 Remote Similarity NPD4822 Approved
0.6168 Remote Similarity NPD4820 Approved
0.6168 Remote Similarity NPD4819 Approved
0.6168 Remote Similarity NPD4252 Approved
0.6165 Remote Similarity NPD8448 Approved
0.6154 Remote Similarity NPD8039 Approved
0.6154 Remote Similarity NPD4755 Approved
0.6147 Remote Similarity NPD6695 Phase 3
0.6147 Remote Similarity NPD5362 Discontinued
0.6132 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6126 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6126 Remote Similarity NPD5330 Approved
0.6126 Remote Similarity NPD7146 Approved
0.6126 Remote Similarity NPD7334 Approved
0.6126 Remote Similarity NPD6409 Approved
0.6126 Remote Similarity NPD6684 Approved
0.6126 Remote Similarity NPD7521 Approved
0.6106 Remote Similarity NPD6051 Approved
0.6106 Remote Similarity NPD5328 Approved
0.6087 Remote Similarity NPD4202 Approved
0.6083 Remote Similarity NPD5211 Phase 2
0.6066 Remote Similarity NPD5357 Phase 1
0.6061 Remote Similarity NPD6067 Discontinued
0.6055 Remote Similarity NPD6435 Approved
0.6055 Remote Similarity NPD5209 Approved
0.605 Remote Similarity NPD4700 Approved
0.605 Remote Similarity NPD5286 Approved
0.605 Remote Similarity NPD5285 Approved
0.605 Remote Similarity NPD4696 Approved
0.6034 Remote Similarity NPD6001 Approved
0.6031 Remote Similarity NPD8444 Approved
0.6029 Remote Similarity NPD8392 Approved
0.6029 Remote Similarity NPD8391 Approved
0.6029 Remote Similarity NPD8390 Approved
0.6019 Remote Similarity NPD7525 Registered
0.6018 Remote Similarity NPD6903 Approved
0.6018 Remote Similarity NPD5737 Approved
0.6018 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6018 Remote Similarity NPD6672 Approved
0.6016 Remote Similarity NPD6274 Approved
0.6015 Remote Similarity NPD8342 Approved
0.6015 Remote Similarity NPD8341 Approved
0.6015 Remote Similarity NPD8340 Approved
0.6015 Remote Similarity NPD8299 Approved
0.6 Remote Similarity NPD7100 Approved
0.6 Remote Similarity NPD7101 Approved
0.6 Remote Similarity NPD5693 Phase 1
0.6 Remote Similarity NPD6079 Approved
0.6 Remote Similarity NPD6421 Discontinued
0.6 Remote Similarity NPD5281 Approved

Structure

External Identifiers

PubChem CID   11706144
ChEMBL   CHEMBL455351
ZINC  

Physicochemical Properties

Molecular Weight:  508.23
ALogP:  -0.52
MLogP:  3.22
XLogP:  1.747
# Rotatable Bonds:  13
Polar Surface Area:  137.96
# H-Bond Aceptor:  10
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  36

Download Data

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