Natural Product: NPC475922

Natural Product ID:  NPC475922
Common Name:   n.a.
IUPAC Name:  
Synonyms:   9-Deacetylbriareolide H
Molecular Formula:   C24H32O8
Standard InCHIKey:  YXCIOULYFUHQTK-SVPOHIPHSA-N
Standard InCHI:  InChI=1S/C24H32O8/c1-12-7-9-16(29-14(3)25)22(5)17(30-15(4)26)10-8-13(2)19(22)20(27)24-18(11-12)31-21(28)23(24,6)32-24/h8,11,16-20,27H,7,9-10H2,1-6H3/b12-11-/t16-,17+,18+,19-,20-,22+,23-,24+/m1/s1
Canonical SMILES:  CC(=O)O[C@@H]1CC/C(=C[C@H]2[C@@]3([C@@H]([C@@H]4[C@]1(C)[C@H](CC=C4C)OC(=O)C)O)O[C@]3(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
NPO33162 briareum sp. Species Briareidae Eukaryota PMID[8984161]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus ED50 = 0.28 ug/ml 25798528
NPT81 Cell Line A549 Homo sapiens ED50 = 10.35 ug/ml 23079524
NPT139 Cell Line HT-29 Homo sapiens ED50 = 8.27 ug/ml 9868149
NPT91 Cell Line KB Homo sapiens ED50 = 0.27 ug/ml 9599259

  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 NPC475922 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
0.9901 High Similarity NPC161816
0.9901 High Similarity NPC115257
0.9604 High Similarity NPC194620
0.9604 High Similarity NPC474421
0.9604 High Similarity NPC72813
0.9604 High Similarity NPC324327
0.9604 High Similarity NPC326994
0.9519 High Similarity NPC473877
0.951 High Similarity NPC233379
0.951 High Similarity NPC14862
0.951 High Similarity NPC169888
0.951 High Similarity NPC55972
0.951 High Similarity NPC327286
0.951 High Similarity NPC474664
0.9505 High Similarity NPC9303
0.9505 High Similarity NPC16313
0.95 High Similarity NPC69171
0.95 High Similarity NPC474166
0.95 High Similarity NPC19239
0.95 High Similarity NPC474165
0.9417 High Similarity NPC15218
0.94 High Similarity NPC183571
0.9314 High Similarity NPC475802
0.9307 High Similarity NPC4620
0.9252 High Similarity NPC474333
0.9231 High Similarity NPC42662
0.9216 High Similarity NPC475676
0.9216 High Similarity NPC220964
0.9167 High Similarity NPC296822
0.9135 High Similarity NPC94377
0.9038 High Similarity NPC475587
0.9038 High Similarity NPC475510
0.8952 High Similarity NPC473595
0.8952 High Similarity NPC473939
0.8818 High Similarity NPC476712
0.8818 High Similarity NPC476713
0.8796 High Similarity NPC317687
0.8785 High Similarity NPC473975
0.8785 High Similarity NPC474586
0.8785 High Similarity NPC473594
0.8785 High Similarity NPC281624
0.8785 High Similarity NPC473843
0.8727 High Similarity NPC476710
0.8727 High Similarity NPC476711
0.8704 High Similarity NPC194619
0.8704 High Similarity NPC317107
0.8654 High Similarity NPC471148
0.8636 High Similarity NPC73314
0.8558 High Similarity NPC164598
0.8558 High Similarity NPC474339
0.8505 High Similarity NPC477513
0.8462 Intermediate Similarity NPC475949
0.8426 Intermediate Similarity NPC322903
0.8378 Intermediate Similarity NPC477126
0.8365 Intermediate Similarity NPC222303
0.8333 Intermediate Similarity NPC470186
0.8319 Intermediate Similarity NPC473590
0.8318 Intermediate Similarity NPC258532
0.8318 Intermediate Similarity NPC472756
0.8302 Intermediate Similarity NPC472754
0.8269 Intermediate Similarity NPC471140
0.823 Intermediate Similarity NPC270478
0.8224 Intermediate Similarity NPC472755
0.8208 Intermediate Similarity NPC472753
0.8205 Intermediate Similarity NPC67251
0.819 Intermediate Similarity NPC471144
0.8173 Intermediate Similarity NPC230800
0.8173 Intermediate Similarity NPC279621
0.8173 Intermediate Similarity NPC473859
0.8148 Intermediate Similarity NPC296950
0.8148 Intermediate Similarity NPC146731
0.8131 Intermediate Similarity NPC474709
0.8131 Intermediate Similarity NPC149371
0.812 Intermediate Similarity NPC188222
0.812 Intermediate Similarity NPC282003
0.812 Intermediate Similarity NPC310035
0.8113 Intermediate Similarity NPC288876
0.8108 Intermediate Similarity NPC475134
0.8108 Intermediate Similarity NPC475563
0.8108 Intermediate Similarity NPC5103
0.8103 Intermediate Similarity NPC475003
0.8091 Intermediate Similarity NPC151393
0.8091 Intermediate Similarity NPC476479
0.8087 Intermediate Similarity NPC470776
0.8077 Intermediate Similarity NPC475659
0.8073 Intermediate Similarity NPC123726
0.8073 Intermediate Similarity NPC284365
0.807 Intermediate Similarity NPC474734
0.8056 Intermediate Similarity NPC475321
0.8053 Intermediate Similarity NPC469496
0.8053 Intermediate Similarity NPC469454
0.8053 Intermediate Similarity NPC159333
0.8053 Intermediate Similarity NPC469463
0.8051 Intermediate Similarity NPC105926
0.8051 Intermediate Similarity NPC91693
0.8051 Intermediate Similarity NPC265557
0.8051 Intermediate Similarity NPC18945
0.8051 Intermediate Similarity NPC303006
0.8037 Intermediate Similarity NPC98225
0.8037 Intermediate Similarity NPC47880
0.8037 Intermediate Similarity NPC264477
0.8037 Intermediate Similarity NPC477511
0.8037 Intermediate Similarity NPC201718
0.8036 Intermediate Similarity NPC473921
0.8036 Intermediate Similarity NPC475668
0.8036 Intermediate Similarity NPC475480
0.8033 Intermediate Similarity NPC470185
0.8018 Intermediate Similarity NPC87335
0.8 Intermediate Similarity NPC53396
0.8 Intermediate Similarity NPC476315
0.8 Intermediate Similarity NPC98249
0.8 Intermediate Similarity NPC470775
0.8 Intermediate Similarity NPC176513
0.8 Intermediate Similarity NPC469684
0.8 Intermediate Similarity NPC17585
0.7983 Intermediate Similarity NPC470922
0.7983 Intermediate Similarity NPC476729
0.7983 Intermediate Similarity NPC24651
0.7982 Intermediate Similarity NPC472748
0.7982 Intermediate Similarity NPC474741
0.7981 Intermediate Similarity NPC474247
0.7966 Intermediate Similarity NPC312833
0.7966 Intermediate Similarity NPC470265
0.7966 Intermediate Similarity NPC23786
0.7965 Intermediate Similarity NPC269530
0.7963 Intermediate Similarity NPC283567
0.7963 Intermediate Similarity NPC39996
0.7961 Intermediate Similarity NPC475972
0.7946 Intermediate Similarity NPC472214
0.7946 Intermediate Similarity NPC235014
0.7946 Intermediate Similarity NPC472215
0.7941 Intermediate Similarity NPC475971
0.7931 Intermediate Similarity NPC284707
0.7931 Intermediate Similarity NPC475401
0.7928 Intermediate Similarity NPC472439
0.7928 Intermediate Similarity NPC469916
0.7913 Intermediate Similarity NPC477509
0.7913 Intermediate Similarity NPC259306
0.7913 Intermediate Similarity NPC470628
0.7913 Intermediate Similarity NPC474046
0.7909 Intermediate Similarity NPC472749
0.7909 Intermediate Similarity NPC472751
0.7905 Intermediate Similarity NPC270013
0.7905 Intermediate Similarity NPC36954
0.7905 Intermediate Similarity NPC471141
0.7905 Intermediate Similarity NPC14961
0.789 Intermediate Similarity NPC475945
0.789 Intermediate Similarity NPC472750
0.789 Intermediate Similarity NPC472747
0.789 Intermediate Similarity NPC475871
0.789 Intermediate Similarity NPC159533
0.789 Intermediate Similarity NPC474775
0.7885 Intermediate Similarity NPC212486
0.7885 Intermediate Similarity NPC475838
0.7885 Intermediate Similarity NPC228451
0.7885 Intermediate Similarity NPC125674
0.7885 Intermediate Similarity NPC476300
0.7885 Intermediate Similarity NPC476598
0.7885 Intermediate Similarity NPC476597
0.7881 Intermediate Similarity NPC67569
0.7881 Intermediate Similarity NPC470779
0.7876 Intermediate Similarity NPC179798
0.7876 Intermediate Similarity NPC304180
0.787 Intermediate Similarity NPC476270
0.787 Intermediate Similarity NPC207885
0.787 Intermediate Similarity NPC476478
0.7863 Intermediate Similarity NPC477092
0.7851 Intermediate Similarity NPC470780
0.785 Intermediate Similarity NPC473326
0.7845 Intermediate Similarity NPC471146
0.7845 Intermediate Similarity NPC475323
0.7845 Intermediate Similarity NPC475305
0.7845 Intermediate Similarity NPC58662
0.7838 Intermediate Similarity NPC67321
0.7838 Intermediate Similarity NPC266514
0.7838 Intermediate Similarity NPC112780
0.7838 Intermediate Similarity NPC26617
0.7838 Intermediate Similarity NPC187435
0.783 Intermediate Similarity NPC470883
0.783 Intermediate Similarity NPC54731
0.783 Intermediate Similarity NPC39859
0.783 Intermediate Similarity NPC76862
0.783 Intermediate Similarity NPC158416
0.7826 Intermediate Similarity NPC469877
0.7826 Intermediate Similarity NPC470919
0.7822 Intermediate Similarity NPC478112
0.7818 Intermediate Similarity NPC471143
0.7818 Intermediate Similarity NPC477510
0.781 Intermediate Similarity NPC474035
0.781 Intermediate Similarity NPC81386
0.781 Intermediate Similarity NPC303942
0.781 Intermediate Similarity NPC476596
0.781 Intermediate Similarity NPC57405
0.7798 Intermediate Similarity NPC324017
0.7798 Intermediate Similarity NPC320019
0.7798 Intermediate Similarity NPC474747
0.7797 Intermediate Similarity NPC109607
0.7797 Intermediate Similarity NPC107338
0.7788 Intermediate Similarity NPC30515
0.7788 Intermediate Similarity NPC208839

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475922 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
0.7864 Intermediate Similarity NPD6698 Approved
0.7864 Intermediate Similarity NPD46 Approved
0.7838 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD6371 Approved
0.7542 Intermediate Similarity NPD7115 Discovery
0.7523 Intermediate Similarity NPD4225 Approved
0.7456 Intermediate Similarity NPD6686 Approved
0.7414 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7328 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7304 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.729 Intermediate Similarity NPD7983 Approved
0.7213 Intermediate Similarity NPD6319 Approved
0.7212 Intermediate Similarity NPD1733 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD7838 Discovery
0.7156 Intermediate Similarity NPD5282 Discontinued
0.7154 Intermediate Similarity NPD8517 Approved
0.7154 Intermediate Similarity NPD8515 Approved
0.7154 Intermediate Similarity NPD8513 Phase 3
0.7154 Intermediate Similarity NPD8516 Approved
0.7107 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD5344 Discontinued
0.7069 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD5779 Approved
0.7064 Intermediate Similarity NPD5778 Approved
0.704 Intermediate Similarity NPD8328 Phase 3
0.6984 Remote Similarity NPD7492 Approved
0.6949 Remote Similarity NPD6372 Approved
0.6949 Remote Similarity NPD6373 Approved
0.6937 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6935 Remote Similarity NPD6054 Approved
0.6935 Remote Similarity NPD6059 Approved
0.6929 Remote Similarity NPD6616 Approved
0.6917 Remote Similarity NPD8297 Approved
0.6909 Remote Similarity NPD6399 Phase 3
0.6903 Remote Similarity NPD7638 Approved
0.6899 Remote Similarity NPD7319 Approved
0.6875 Remote Similarity NPD8293 Discontinued
0.6875 Remote Similarity NPD7078 Approved
0.6875 Remote Similarity NPD8074 Phase 3
0.6842 Remote Similarity NPD7640 Approved
0.6842 Remote Similarity NPD7639 Approved
0.6838 Remote Similarity NPD6675 Approved
0.6838 Remote Similarity NPD7128 Approved
0.6838 Remote Similarity NPD5739 Approved
0.6838 Remote Similarity NPD6402 Approved
0.6833 Remote Similarity NPD6650 Approved
0.6833 Remote Similarity NPD6649 Approved
0.6825 Remote Similarity NPD6370 Approved
0.6822 Remote Similarity NPD7736 Approved
0.6818 Remote Similarity NPD6411 Approved
0.6814 Remote Similarity NPD6084 Phase 2
0.6814 Remote Similarity NPD6083 Phase 2
0.6797 Remote Similarity NPD7507 Approved
0.6789 Remote Similarity NPD1695 Approved
0.6777 Remote Similarity NPD6053 Discontinued
0.6746 Remote Similarity NPD6921 Approved
0.6746 Remote Similarity NPD6015 Approved
0.6746 Remote Similarity NPD6016 Approved
0.6727 Remote Similarity NPD5785 Approved
0.6723 Remote Similarity NPD6881 Approved
0.6723 Remote Similarity NPD7320 Approved
0.6723 Remote Similarity NPD6899 Approved
0.6721 Remote Similarity NPD8133 Approved
0.6721 Remote Similarity NPD4632 Approved
0.6696 Remote Similarity NPD6648 Approved
0.6695 Remote Similarity NPD6008 Approved
0.6693 Remote Similarity NPD5988 Approved
0.6667 Remote Similarity NPD7637 Suspended
0.6667 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6641 Remote Similarity NPD7604 Phase 2
0.6639 Remote Similarity NPD5701 Approved
0.6639 Remote Similarity NPD6882 Approved
0.6639 Remote Similarity NPD6412 Phase 2
0.6639 Remote Similarity NPD5697 Approved
0.6637 Remote Similarity NPD5695 Phase 3
0.6636 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6636 Remote Similarity NPD6101 Approved
0.6612 Remote Similarity NPD6883 Approved
0.6612 Remote Similarity NPD7290 Approved
0.6612 Remote Similarity NPD7102 Approved
0.6609 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6609 Remote Similarity NPD5696 Approved
0.656 Remote Similarity NPD6009 Approved
0.6557 Remote Similarity NPD8130 Phase 1
0.6557 Remote Similarity NPD6847 Approved
0.6557 Remote Similarity NPD6869 Approved
0.6557 Remote Similarity NPD6617 Approved
0.6544 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6541 Remote Similarity NPD7260 Phase 2
0.6538 Remote Similarity NPD8273 Phase 1
0.6529 Remote Similarity NPD6012 Approved
0.6529 Remote Similarity NPD6014 Approved
0.6529 Remote Similarity NPD6013 Approved
0.6509 Remote Similarity NPD5369 Approved
0.6508 Remote Similarity NPD7328 Approved
0.6508 Remote Similarity NPD7327 Approved
0.6484 Remote Similarity NPD8033 Approved
0.6484 Remote Similarity NPD5983 Phase 2
0.6475 Remote Similarity NPD4634 Approved
0.6457 Remote Similarity NPD7516 Approved
0.6455 Remote Similarity NPD4251 Approved
0.6455 Remote Similarity NPD4250 Approved
0.6449 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6449 Remote Similarity NPD4269 Approved
0.6449 Remote Similarity NPD4270 Approved
0.6446 Remote Similarity NPD6011 Approved
0.6439 Remote Similarity NPD6033 Approved
0.6435 Remote Similarity NPD7839 Suspended
0.6423 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6412 Remote Similarity NPD6336 Discontinued
0.6406 Remote Similarity NPD8294 Approved
0.6406 Remote Similarity NPD8377 Approved
0.6396 Remote Similarity NPD5737 Approved
0.6396 Remote Similarity NPD6672 Approved
0.6389 Remote Similarity NPD7154 Phase 3
0.6389 Remote Similarity NPD6110 Phase 1
0.6385 Remote Similarity NPD7642 Approved
0.6379 Remote Similarity NPD7902 Approved
0.6372 Remote Similarity NPD5693 Phase 1
0.637 Remote Similarity NPD6845 Suspended
0.6364 Remote Similarity NPD5786 Approved
0.6364 Remote Similarity NPD4249 Approved
0.6357 Remote Similarity NPD8379 Approved
0.6357 Remote Similarity NPD8378 Approved
0.6357 Remote Similarity NPD8296 Approved
0.6357 Remote Similarity NPD7503 Approved
0.6357 Remote Similarity NPD8380 Approved
0.6357 Remote Similarity NPD8335 Approved
0.6356 Remote Similarity NPD1700 Approved
0.633 Remote Similarity NPD4786 Approved
0.6306 Remote Similarity NPD7524 Approved
0.6303 Remote Similarity NPD7632 Discontinued
0.6296 Remote Similarity NPD3667 Approved
0.6288 Remote Similarity NPD8451 Approved
0.6273 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6273 Remote Similarity NPD5363 Approved
0.6273 Remote Similarity NPD1694 Approved
0.6262 Remote Similarity NPD4252 Approved
0.6262 Remote Similarity NPD4821 Approved
0.6262 Remote Similarity NPD4822 Approved
0.6262 Remote Similarity NPD4820 Approved
0.6262 Remote Similarity NPD4819 Approved
0.6262 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6261 Remote Similarity NPD7748 Approved
0.626 Remote Similarity NPD7829 Approved
0.626 Remote Similarity NPD7830 Approved
0.625 Remote Similarity NPD8039 Approved
0.6241 Remote Similarity NPD8448 Approved
0.6239 Remote Similarity NPD5362 Discontinued
0.6239 Remote Similarity NPD4755 Approved
0.6228 Remote Similarity NPD7515 Phase 2
0.6226 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6222 Remote Similarity NPD5956 Approved
0.622 Remote Similarity NPD6274 Approved
0.6216 Remote Similarity NPD6098 Approved
0.6202 Remote Similarity NPD7101 Approved
0.6202 Remote Similarity NPD7100 Approved
0.6195 Remote Similarity NPD6673 Approved
0.6195 Remote Similarity NPD4753 Phase 2
0.6195 Remote Similarity NPD6080 Approved
0.6195 Remote Similarity NPD6904 Approved
0.6182 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6182 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6167 Remote Similarity NPD5211 Phase 2
0.616 Remote Similarity NPD2204 Approved
0.6154 Remote Similarity NPD4792 Clinical (unspecified phase)
0.6147 Remote Similarity NPD6435 Approved
0.6134 Remote Similarity NPD4696 Approved
0.6134 Remote Similarity NPD5285 Approved
0.6134 Remote Similarity NPD4700 Approved
0.6134 Remote Similarity NPD5286 Approved
0.6124 Remote Similarity NPD6335 Approved
0.6121 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6121 Remote Similarity NPD7900 Approved
0.6115 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6107 Remote Similarity NPD8444 Approved
0.6107 Remote Similarity NPD6908 Approved
0.6107 Remote Similarity NPD6909 Approved
0.6107 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6103 Remote Similarity NPD8391 Approved
0.6103 Remote Similarity NPD8392 Approved
0.6103 Remote Similarity NPD8390 Approved
0.6091 Remote Similarity NPD6695 Phase 3
0.609 Remote Similarity NPD8340 Approved
0.609 Remote Similarity NPD8341 Approved
0.609 Remote Similarity NPD8342 Approved
0.609 Remote Similarity NPD8299 Approved
0.6087 Remote Similarity NPD8035 Phase 2
0.6087 Remote Similarity NPD8034 Phase 2
0.6087 Remote Similarity NPD6050 Approved
0.6075 Remote Similarity NPD4268 Approved
0.6075 Remote Similarity NPD4271 Approved
0.6071 Remote Similarity NPD6684 Approved
0.6071 Remote Similarity NPD5279 Phase 3
0.6071 Remote Similarity NPD3618 Phase 1
0.6071 Remote Similarity NPD7521 Approved
0.6071 Remote Similarity NPD5330 Approved
0.6071 Remote Similarity NPD6409 Approved
0.6071 Remote Similarity NPD7146 Approved

Structure

External Identifiers

PubChem CID   44584196
ChEMBL   CHEMBL518683
ZINC  

Physicochemical Properties

Molecular Weight:  448.21
ALogP:  0.7999
MLogP:  3.22
XLogP:  1.347
# Rotatable Bonds:  11
Polar Surface Area:  111.66
# H-Bond Aceptor:  8
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  32

Download Data

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