Natural Product: NPC275343

Natural Product ID:  NPC275343
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C42H62O15
Standard InCHIKey:  WPDHECQXVOACTR-MOBXHYNLSA-N
Standard InCHI:  InChI=1S/C42H62O15/c1-37(2)21-10-13-42(7)22(9-8-19-20-18-39(4,36(52)53)15-14-38(20,3)16-17-41(19,42)6)40(21,5)12-11-23(37)54-35-31(27(46)26(45)30(56-35)33(50)51)57-34-28(47)24(43)25(44)29(55-34)32(48)49/h8-9,21-31,34-35,43-47H,10-18H2,1-7H3,(H,48,49)(H,50,51)(H,52,53)/t21-,22+,23-,24-,25-,26-,27-,28+,29-,30-,31+,34-,35+,38+,39-,40-,41+,42+/m0/s1
Canonical SMILES:  O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C=CC2=C3C[C@](C)(CC[C@@]3(CC[C@@]12C)C)C(=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
NPO7786 Lentinus tigrinus Species Lentinaceae Eukaryota UNPD*
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota UNPD*
NPO10026 Mitracarpus scaber Species Rubiaceae Eukaryota UNPD*
NPO15835 Glycyrrhiza Species Fabaceae Eukaryota TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT742 Organism Influenza A virus Influenza A virus Activity = 47 % 26841168
NPT742 Organism Influenza A virus Influenza A virus IC50 = 39600 nM 26841168

  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 NPC275343 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
0.9558 High Similarity NPC472949
0.9558 High Similarity NPC309780
0.9558 High Similarity NPC469945
0.9558 High Similarity NPC114441
0.9558 High Similarity NPC475171
0.9558 High Similarity NPC157868
0.9558 High Similarity NPC35405
0.9558 High Similarity NPC208381
0.9558 High Similarity NPC11551
0.9558 High Similarity NPC6377
0.9558 High Similarity NPC214484
0.9558 High Similarity NPC473884
0.9558 High Similarity NPC39211
0.9558 High Similarity NPC180550
0.9469 High Similarity NPC286347
0.9391 High Similarity NPC75417
0.9391 High Similarity NPC22956
0.9391 High Similarity NPC301449
0.9391 High Similarity NPC62725
0.9391 High Similarity NPC64715
0.9391 High Similarity NPC242840
0.9391 High Similarity NPC86222
0.9391 High Similarity NPC222580
0.9391 High Similarity NPC114484
0.9391 High Similarity NPC171544
0.9391 High Similarity NPC297263
0.9391 High Similarity NPC31838
0.9391 High Similarity NPC104372
0.9391 High Similarity NPC11242
0.9391 High Similarity NPC223301
0.9391 High Similarity NPC159309
0.9391 High Similarity NPC31193
0.9381 High Similarity NPC224121
0.931 High Similarity NPC10607
0.931 High Similarity NPC475591
0.931 High Similarity NPC40775
0.931 High Similarity NPC471965
0.931 High Similarity NPC21691
0.931 High Similarity NPC187290
0.931 High Similarity NPC213952
0.931 High Similarity NPC80986
0.931 High Similarity NPC235438
0.931 High Similarity NPC236870
0.931 High Similarity NPC4749
0.931 High Similarity NPC162574
0.931 High Similarity NPC107966
0.931 High Similarity NPC249848
0.9304 High Similarity NPC118440
0.9304 High Similarity NPC236657
0.9304 High Similarity NPC294112
0.9231 High Similarity NPC202666
0.9231 High Similarity NPC302543
0.9231 High Similarity NPC44716
0.9231 High Similarity NPC471964
0.9231 High Similarity NPC30735
0.9231 High Similarity NPC258617
0.9231 High Similarity NPC262199
0.9231 High Similarity NPC2370
0.9231 High Similarity NPC235405
0.9231 High Similarity NPC471961
0.9231 High Similarity NPC14617
0.9231 High Similarity NPC200049
0.9231 High Similarity NPC281148
0.9231 High Similarity NPC257211
0.9231 High Similarity NPC283417
0.9224 High Similarity NPC187618
0.9224 High Similarity NPC302887
0.9217 High Similarity NPC192791
0.9153 High Similarity NPC471962
0.9153 High Similarity NPC471963
0.9153 High Similarity NPC33068
0.9153 High Similarity NPC470477
0.9153 High Similarity NPC160452
0.9153 High Similarity NPC247315
0.9145 High Similarity NPC131469
0.9145 High Similarity NPC313110
0.9123 High Similarity NPC473126
0.9076 High Similarity NPC181066
0.9076 High Similarity NPC470218
0.9076 High Similarity NPC469947
0.9076 High Similarity NPC284449
0.9076 High Similarity NPC475368
0.9076 High Similarity NPC285091
0.9068 High Similarity NPC478066
0.9027 High Similarity NPC1046
0.9027 High Similarity NPC161434
0.9027 High Similarity NPC195132
0.9027 High Similarity NPC80843
0.9018 High Similarity NPC269095
0.9018 High Similarity NPC78046
0.8992 High Similarity NPC23275
0.8992 High Similarity NPC130229
0.8966 High Similarity NPC109588
0.8957 High Similarity NPC291903
0.8957 High Similarity NPC37134
0.8947 High Similarity NPC475208
0.8947 High Similarity NPC238935
0.8938 High Similarity NPC31839
0.8938 High Similarity NPC190837
0.8929 High Similarity NPC137917
0.8926 High Similarity NPC470475
0.8926 High Similarity NPC470476
0.8879 High Similarity NPC300419
0.8879 High Similarity NPC475119
0.8879 High Similarity NPC473824
0.887 High Similarity NPC475486
0.887 High Similarity NPC475633
0.887 High Similarity NPC164389
0.886 High Similarity NPC64106
0.886 High Similarity NPC256798
0.886 High Similarity NPC65590
0.886 High Similarity NPC48249
0.886 High Similarity NPC125923
0.886 High Similarity NPC128925
0.886 High Similarity NPC212968
0.8852 High Similarity NPC477196
0.885 High Similarity NPC474589
0.885 High Similarity NPC174679
0.885 High Similarity NPC279554
0.885 High Similarity NPC29069
0.885 High Similarity NPC242611
0.885 High Similarity NPC270667
0.885 High Similarity NPC59804
0.885 High Similarity NPC164194
0.885 High Similarity NPC90856
0.885 High Similarity NPC220984
0.885 High Similarity NPC136877
0.885 High Similarity NPC127056
0.885 High Similarity NPC56713
0.885 High Similarity NPC475296
0.8833 High Similarity NPC30188
0.8833 High Similarity NPC177820
0.8803 High Similarity NPC232237
0.8803 High Similarity NPC105800
0.8793 High Similarity NPC476992
0.8793 High Similarity NPC75287
0.8793 High Similarity NPC288205
0.8793 High Similarity NPC26626
0.8793 High Similarity NPC305267
0.8793 High Similarity NPC51465
0.8783 High Similarity NPC204458
0.8783 High Similarity NPC47063
0.8783 High Similarity NPC138334
0.8783 High Similarity NPC189884
0.878 High Similarity NPC477197
0.8772 High Similarity NPC179434
0.8772 High Similarity NPC211798
0.8772 High Similarity NPC191763
0.8772 High Similarity NPC235841
0.8772 High Similarity NPC297208
0.8772 High Similarity NPC164419
0.8772 High Similarity NPC473481
0.8772 High Similarity NPC30397
0.8772 High Similarity NPC108748
0.877 High Similarity NPC477194
0.877 High Similarity NPC477193
0.877 High Similarity NPC477192
0.877 High Similarity NPC477078
0.877 High Similarity NPC477191
0.877 High Similarity NPC475281
0.877 High Similarity NPC477075
0.877 High Similarity NPC329923
0.8761 High Similarity NPC306746
0.8761 High Similarity NPC204407
0.8761 High Similarity NPC167383
0.8761 High Similarity NPC237503
0.8761 High Similarity NPC57362
0.8729 High Similarity NPC25663
0.8729 High Similarity NPC207738
0.8729 High Similarity NPC51564
0.8729 High Similarity NPC135849
0.8718 High Similarity NPC309223
0.8718 High Similarity NPC102505
0.8718 High Similarity NPC123522
0.8718 High Similarity NPC309433
0.8718 High Similarity NPC323359
0.8718 High Similarity NPC220160
0.8718 High Similarity NPC85154
0.8718 High Similarity NPC191827
0.8718 High Similarity NPC104137
0.8718 High Similarity NPC286457
0.8718 High Similarity NPC473452
0.8718 High Similarity NPC475209
0.8718 High Similarity NPC33012
0.8718 High Similarity NPC69811
0.8718 High Similarity NPC475514
0.8718 High Similarity NPC470876
0.8718 High Similarity NPC8524
0.871 High Similarity NPC312650
0.871 High Similarity NPC476776
0.871 High Similarity NPC477195
0.8699 High Similarity NPC252289
0.8699 High Similarity NPC47995
0.8699 High Similarity NPC305793
0.8699 High Similarity NPC141600
0.8699 High Similarity NPC280029
0.8699 High Similarity NPC470913
0.8699 High Similarity NPC470518
0.8699 High Similarity NPC9470
0.8699 High Similarity NPC107536

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC275343 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
0.9231 High Similarity NPD8328 Phase 3
0.9211 High Similarity NPD8295 Clinical (unspecified phase)
0.8435 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.8175 Intermediate Similarity NPD7736 Approved
0.813 Intermediate Similarity NPD8517 Approved
0.813 Intermediate Similarity NPD8513 Phase 3
0.813 Intermediate Similarity NPD8515 Approved
0.813 Intermediate Similarity NPD8516 Approved
0.7812 Intermediate Similarity NPD8293 Discontinued
0.7778 Intermediate Similarity NPD6370 Approved
0.7705 Intermediate Similarity NPD8133 Approved
0.7692 Intermediate Similarity NPD7319 Approved
0.7656 Intermediate Similarity NPD7492 Approved
0.7619 Intermediate Similarity NPD6319 Approved
0.7619 Intermediate Similarity NPD6054 Approved
0.7597 Intermediate Similarity NPD6616 Approved
0.7597 Intermediate Similarity NPD7507 Approved
0.7583 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7538 Intermediate Similarity NPD7078 Approved
0.75 Intermediate Similarity NPD6412 Phase 2
0.748 Intermediate Similarity NPD6059 Approved
0.748 Intermediate Similarity NPD8297 Approved
0.748 Intermediate Similarity NPD6882 Approved
0.7438 Intermediate Similarity NPD6686 Approved
0.7434 Intermediate Similarity NPD6411 Approved
0.7422 Intermediate Similarity NPD6016 Approved
0.7422 Intermediate Similarity NPD6015 Approved
0.7381 Intermediate Similarity NPD6009 Approved
0.7364 Intermediate Similarity NPD5988 Approved
0.7344 Intermediate Similarity NPD8377 Approved
0.7344 Intermediate Similarity NPD8294 Approved
0.7287 Intermediate Similarity NPD8033 Approved
0.7287 Intermediate Similarity NPD8335 Approved
0.7287 Intermediate Similarity NPD8380 Approved
0.7287 Intermediate Similarity NPD8378 Approved
0.7287 Intermediate Similarity NPD7503 Approved
0.7287 Intermediate Similarity NPD8296 Approved
0.7287 Intermediate Similarity NPD8379 Approved
0.7273 Intermediate Similarity NPD8074 Phase 3
0.7265 Intermediate Similarity NPD7902 Approved
0.7258 Intermediate Similarity NPD6650 Approved
0.7258 Intermediate Similarity NPD6649 Approved
0.7257 Intermediate Similarity NPD6101 Approved
0.7257 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD6372 Approved
0.7236 Intermediate Similarity NPD6373 Approved
0.7155 Intermediate Similarity NPD7748 Approved
0.7154 Intermediate Similarity NPD6899 Approved
0.7154 Intermediate Similarity NPD6881 Approved
0.7143 Intermediate Similarity NPD4632 Approved
0.7131 Intermediate Similarity NPD5739 Approved
0.7131 Intermediate Similarity NPD6402 Approved
0.7131 Intermediate Similarity NPD7128 Approved
0.7131 Intermediate Similarity NPD6675 Approved
0.712 Intermediate Similarity NPD8130 Phase 1
0.712 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD5697 Approved
0.7069 Intermediate Similarity NPD5779 Approved
0.7069 Intermediate Similarity NPD5778 Approved
0.7054 Intermediate Similarity NPD7328 Approved
0.7054 Intermediate Similarity NPD7327 Approved
0.7049 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD6883 Approved
0.704 Intermediate Similarity NPD7102 Approved
0.704 Intermediate Similarity NPD7290 Approved
0.7023 Intermediate Similarity NPD6921 Approved
0.7016 Intermediate Similarity NPD7320 Approved
0.7009 Intermediate Similarity NPD7900 Approved
0.7009 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7516 Approved
0.6984 Remote Similarity NPD6847 Approved
0.6984 Remote Similarity NPD6617 Approved
0.6984 Remote Similarity NPD6869 Approved
0.6983 Remote Similarity NPD7983 Approved
0.6983 Remote Similarity NPD7515 Phase 2
0.6963 Remote Similarity NPD6033 Approved
0.696 Remote Similarity NPD6013 Approved
0.696 Remote Similarity NPD6014 Approved
0.696 Remote Similarity NPD6012 Approved
0.6935 Remote Similarity NPD5701 Approved
0.6917 Remote Similarity NPD7604 Phase 2
0.6905 Remote Similarity NPD4634 Approved
0.6894 Remote Similarity NPD5983 Phase 2
0.688 Remote Similarity NPD6011 Approved
0.6846 Remote Similarity NPD7115 Discovery
0.6815 Remote Similarity NPD6336 Discontinued
0.6741 Remote Similarity NPD8342 Approved
0.6741 Remote Similarity NPD8299 Approved
0.6741 Remote Similarity NPD8341 Approved
0.6741 Remote Similarity NPD8340 Approved
0.6719 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6695 Remote Similarity NPD8034 Phase 2
0.6695 Remote Similarity NPD8035 Phase 2
0.6691 Remote Similarity NPD8451 Approved
0.6667 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6642 Remote Similarity NPD8448 Approved
0.6639 Remote Similarity NPD7638 Approved
0.6639 Remote Similarity NPD6399 Phase 3
0.6619 Remote Similarity NPD8390 Approved
0.6619 Remote Similarity NPD8391 Approved
0.6619 Remote Similarity NPD8392 Approved
0.6617 Remote Similarity NPD7101 Approved
0.6617 Remote Similarity NPD7100 Approved
0.6612 Remote Similarity NPD7839 Suspended
0.6585 Remote Similarity NPD5285 Approved
0.6585 Remote Similarity NPD7640 Approved
0.6585 Remote Similarity NPD7639 Approved
0.6585 Remote Similarity NPD5286 Approved
0.6585 Remote Similarity NPD4696 Approved
0.6573 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6571 Remote Similarity NPD7260 Phase 2
0.6562 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6557 Remote Similarity NPD6084 Phase 2
0.6557 Remote Similarity NPD4755 Approved
0.6557 Remote Similarity NPD6083 Phase 2
0.6544 Remote Similarity NPD7829 Approved
0.6544 Remote Similarity NPD7830 Approved
0.6544 Remote Similarity NPD6067 Discontinued
0.6541 Remote Similarity NPD6335 Approved
0.6519 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6515 Remote Similarity NPD6274 Approved
0.6515 Remote Similarity NPD6868 Approved
0.6512 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6504 Remote Similarity NPD4225 Approved
0.6504 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6503 Remote Similarity NPD7799 Discontinued
0.6496 Remote Similarity NPD3573 Approved
0.648 Remote Similarity NPD5224 Approved
0.648 Remote Similarity NPD5226 Approved
0.648 Remote Similarity NPD5225 Approved
0.648 Remote Similarity NPD5211 Phase 2
0.648 Remote Similarity NPD4633 Approved
0.6475 Remote Similarity NPD4697 Phase 3
0.6475 Remote Similarity NPD5222 Approved
0.6475 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6475 Remote Similarity NPD5221 Approved
0.6471 Remote Similarity NPD8080 Discontinued
0.6466 Remote Similarity NPD6317 Approved
0.6457 Remote Similarity NPD6008 Approved
0.6452 Remote Similarity NPD4700 Approved
0.6434 Remote Similarity NPD8415 Approved
0.6429 Remote Similarity NPD5174 Approved
0.6429 Remote Similarity NPD5175 Approved
0.6423 Remote Similarity NPD5173 Approved
0.6418 Remote Similarity NPD6313 Approved
0.6418 Remote Similarity NPD7641 Discontinued
0.6418 Remote Similarity NPD6314 Approved
0.6417 Remote Similarity NPD6079 Approved
0.64 Remote Similarity NPD5223 Approved
0.6397 Remote Similarity NPD8444 Approved
0.6397 Remote Similarity NPD6909 Approved
0.6397 Remote Similarity NPD6908 Approved
0.6393 Remote Similarity NPD5695 Phase 3
0.6389 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6387 Remote Similarity NPD5328 Approved
0.6383 Remote Similarity NPD5956 Approved
0.6378 Remote Similarity NPD5141 Approved
0.6372 Remote Similarity NPD7645 Phase 2
0.6371 Remote Similarity NPD5696 Approved
0.6364 Remote Similarity NPD8171 Discontinued
0.6357 Remote Similarity NPD4730 Approved
0.6357 Remote Similarity NPD4729 Approved
0.6343 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6328 Remote Similarity NPD4767 Approved
0.6328 Remote Similarity NPD4768 Approved
0.6325 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6303 Remote Similarity NPD6672 Approved
0.6303 Remote Similarity NPD5737 Approved
0.6281 Remote Similarity NPD7637 Suspended
0.6279 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6277 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6271 Remote Similarity NPD3618 Phase 1
0.626 Remote Similarity NPD5248 Approved
0.626 Remote Similarity NPD5250 Approved
0.626 Remote Similarity NPD5249 Phase 3
0.626 Remote Similarity NPD5247 Approved
0.626 Remote Similarity NPD5251 Approved
0.6241 Remote Similarity NPD8337 Approved
0.6241 Remote Similarity NPD8336 Approved
0.6198 Remote Similarity NPD46 Approved
0.6198 Remote Similarity NPD6698 Approved
0.619 Remote Similarity NPD6334 Approved
0.619 Remote Similarity NPD6333 Approved
0.6181 Remote Similarity NPD8338 Approved
0.6181 Remote Similarity NPD6845 Suspended
0.6179 Remote Similarity NPD5282 Discontinued
0.6172 Remote Similarity NPD4754 Approved
0.6167 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6154 Remote Similarity NPD3669 Approved
0.6154 Remote Similarity NPD8368 Discontinued
0.6154 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6148 Remote Similarity NPD5284 Approved
0.6148 Remote Similarity NPD6050 Approved
0.6148 Remote Similarity NPD5694 Approved
0.6148 Remote Similarity NPD5281 Approved
0.6134 Remote Similarity NPD5279 Phase 3
0.6121 Remote Similarity NPD1780 Approved
0.6121 Remote Similarity NPD1779 Approved
0.6107 Remote Similarity NPD5128 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3809022
ZINC  

Physicochemical Properties

Molecular Weight:  806.41
ALogP:  -0.5545
MLogP:  4.43
XLogP:  5.858
# Rotatable Bonds:  22
Polar Surface Area:  249.97
# H-Bond Aceptor:  15
# H-Bond Donor:  8
# Rings:  7
# Heavy Atoms:  57

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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