Natural Product: NPC47063

Natural Product ID:  NPC47063
Common Name:   Oblonganoside J
IUPAC Name:  
Synonyms:  
Molecular Formula:   C38H60O11
Standard InCHIKey:  OOALYLWGJHIEKK-XFCMFZKPSA-N
Standard InCHI:  InChI=1S/C38H60O11/c1-20-9-14-38(32(44)49-31-29(43)28(42)27(41)22(17-39)47-31)16-15-35(4)21(30(38)37(20,6)45)7-8-24-33(2)12-11-25-34(3,19-46-26(18-40)48-25)23(33)10-13-36(24,35)5/h7,20,22-31,39-43,45H,8-19H2,1-6H3/t20-,22-,23-,24-,25+,26-,27-,28+,29-,30-,31+,33+,34+,35-,36-,37-,38+/m1/s1
Canonical SMILES:  OC[C@@H]1OC[C@@]2([C@@H](O1)CC[C@]1([C@H]2CC[C@@]2([C@@H]1CC=C1[C@@]2(C)CC[C@@]2([C@H]1[C@](C)(O)[C@@H](CC2)C)C(=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C)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
NPO25992 Lasallia papulosa Species Umbilicariaceae Eukaryota UNPD*
NPO26650 Terminalia chebula Species Combretaceae Eukaryota UNPD*
NPO4318 Aspergillus cristatus Species Aspergillaceae Eukaryota UNPD*
NPO25339 Trillium smallii Species Melanthiaceae Eukaryota UNPD*
NPO26622 Taraxacum officinale Species Asteraceae Eukaryota UNPD*
NPO25649 Calliandra haematocephala Species Fabaceae Eukaryota UNPD*
NPO28950 Angelonia integerrima Species Plantaginaceae Eukaryota UNPD*
NPO24698 Protium unifoliolatum Species Burseraceae Eukaryota UNPD*
NPO26399 Crepidiastrum lanceolatum Species Asteraceae Eukaryota UNPD*
NPO25765 Dryopteris aemula Species Dryopteridaceae Eukaryota UNPD*
NPO26283 Streptomyces djakartensis Species Streptomycetaceae Bacteria UNPD*
NPO9182 Lychnophora passerina Species Asteraceae Eukaryota UNPD*
NPO26261 Streptomyces tendae Species Streptomycetaceae Bacteria UNPD*
NPO26048 Grateloupia elliptica Species Halymeniaceae Eukaryota UNPD*
NPO26345 Sideroxylon tomentosum Species Sapotaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 28.1 % 17274628

  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 NPC47063 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 NPC138334
1.0 High Similarity NPC189884
1.0 High Similarity NPC204458
0.9904 High Similarity NPC256798
0.9904 High Similarity NPC128925
0.9904 High Similarity NPC37739
0.9904 High Similarity NPC46388
0.9811 High Similarity NPC160415
0.9811 High Similarity NPC58448
0.981 High Similarity NPC269315
0.981 High Similarity NPC271138
0.9808 High Similarity NPC235841
0.9808 High Similarity NPC30397
0.9808 High Similarity NPC211798
0.9808 High Similarity NPC191763
0.9808 High Similarity NPC473481
0.9808 High Similarity NPC297208
0.9808 High Similarity NPC108748
0.972 High Similarity NPC68175
0.9714 High Similarity NPC116794
0.9712 High Similarity NPC474589
0.9712 High Similarity NPC164194
0.9712 High Similarity NPC90856
0.9712 High Similarity NPC270667
0.9712 High Similarity NPC279554
0.9712 High Similarity NPC29069
0.9712 High Similarity NPC127056
0.9712 High Similarity NPC174679
0.9712 High Similarity NPC475296
0.9712 High Similarity NPC59804
0.9712 High Similarity NPC136877
0.9712 High Similarity NPC56713
0.9712 High Similarity NPC274507
0.963 High Similarity NPC36831
0.9626 High Similarity NPC161674
0.9626 High Similarity NPC471384
0.9623 High Similarity NPC124296
0.9623 High Similarity NPC258885
0.9619 High Similarity NPC179434
0.9619 High Similarity NPC164419
0.9615 High Similarity NPC237503
0.9615 High Similarity NPC167383
0.9615 High Similarity NPC306746
0.9615 High Similarity NPC204407
0.9615 High Similarity NPC57362
0.9537 High Similarity NPC148417
0.9537 High Similarity NPC136768
0.9537 High Similarity NPC110633
0.9533 High Similarity NPC475633
0.9528 High Similarity NPC139044
0.9528 High Similarity NPC473383
0.9528 High Similarity NPC324875
0.9528 High Similarity NPC139894
0.9528 High Similarity NPC475516
0.9528 High Similarity NPC104400
0.9528 High Similarity NPC1046
0.9528 High Similarity NPC276093
0.9528 High Similarity NPC292677
0.9528 High Similarity NPC257468
0.9528 High Similarity NPC469946
0.9528 High Similarity NPC475504
0.9528 High Similarity NPC101744
0.9528 High Similarity NPC473373
0.9528 High Similarity NPC471383
0.9528 High Similarity NPC102439
0.9528 High Similarity NPC109079
0.9528 High Similarity NPC10320
0.9528 High Similarity NPC79718
0.9528 High Similarity NPC80843
0.9528 High Similarity NPC104071
0.9524 High Similarity NPC7870
0.9524 High Similarity NPC476881
0.9524 High Similarity NPC476880
0.9524 High Similarity NPC269095
0.9524 High Similarity NPC476883
0.9524 High Similarity NPC476886
0.9524 High Similarity NPC78046
0.9524 High Similarity NPC75747
0.9524 High Similarity NPC110139
0.9524 High Similarity NPC476885
0.9524 High Similarity NPC108709
0.9524 High Similarity NPC476887
0.9524 High Similarity NPC476884
0.9524 High Similarity NPC68419
0.9524 High Similarity NPC476882
0.9524 High Similarity NPC102914
0.9524 High Similarity NPC199457
0.9519 High Similarity NPC177246
0.9519 High Similarity NPC476123
0.9519 High Similarity NPC284807
0.9519 High Similarity NPC28198
0.9455 High Similarity NPC268184
0.9444 High Similarity NPC291903
0.9444 High Similarity NPC37134
0.9439 High Similarity NPC114304
0.9439 High Similarity NPC133818
0.9439 High Similarity NPC323341
0.9439 High Similarity NPC192600
0.9439 High Similarity NPC134835
0.9439 High Similarity NPC96641
0.9439 High Similarity NPC475208
0.9439 High Similarity NPC475287
0.9439 High Similarity NPC46665
0.9439 High Similarity NPC150400
0.9439 High Similarity NPC475467
0.9439 High Similarity NPC219180
0.9439 High Similarity NPC251263
0.9439 High Similarity NPC238935
0.9439 High Similarity NPC163183
0.9439 High Similarity NPC114287
0.9439 High Similarity NPC151543
0.9439 High Similarity NPC473826
0.9439 High Similarity NPC174720
0.9439 High Similarity NPC241909
0.9439 High Similarity NPC73318
0.9439 High Similarity NPC295823
0.9439 High Similarity NPC309714
0.9439 High Similarity NPC166422
0.9439 High Similarity NPC473343
0.9439 High Similarity NPC155410
0.9434 High Similarity NPC31839
0.9429 High Similarity NPC137917
0.9429 High Similarity NPC127853
0.9423 High Similarity NPC283849
0.9423 High Similarity NPC473538
0.9369 High Similarity NPC75417
0.9358 High Similarity NPC473824
0.9358 High Similarity NPC475119
0.9358 High Similarity NPC300419
0.9352 High Similarity NPC161717
0.9352 High Similarity NPC236638
0.9352 High Similarity NPC76972
0.9352 High Similarity NPC79643
0.9352 High Similarity NPC4328
0.9352 High Similarity NPC475140
0.9352 High Similarity NPC204414
0.9352 High Similarity NPC250247
0.9352 High Similarity NPC164389
0.9352 High Similarity NPC41061
0.9352 High Similarity NPC305981
0.9352 High Similarity NPC469782
0.9352 High Similarity NPC293330
0.9352 High Similarity NPC123199
0.9352 High Similarity NPC57484
0.9352 High Similarity NPC476068
0.9352 High Similarity NPC43550
0.9352 High Similarity NPC473714
0.9352 High Similarity NPC60557
0.9352 High Similarity NPC67857
0.9352 High Similarity NPC475486
0.9352 High Similarity NPC71065
0.9352 High Similarity NPC261506
0.9352 High Similarity NPC65105
0.9352 High Similarity NPC475160
0.9352 High Similarity NPC70809
0.9352 High Similarity NPC471385
0.9352 High Similarity NPC298034
0.9352 High Similarity NPC309907
0.9352 High Similarity NPC294453
0.9352 High Similarity NPC202828
0.9352 High Similarity NPC54636
0.9352 High Similarity NPC119592
0.9352 High Similarity NPC100639
0.9352 High Similarity NPC224381
0.9352 High Similarity NPC227551
0.9352 High Similarity NPC471550
0.9346 High Similarity NPC161434
0.9346 High Similarity NPC471967
0.9346 High Similarity NPC195132
0.9346 High Similarity NPC48249
0.934 High Similarity NPC475501
0.934 High Similarity NPC220984
0.934 High Similarity NPC242611
0.9333 High Similarity NPC285576
0.9327 High Similarity NPC475611
0.9279 High Similarity NPC473645
0.9273 High Similarity NPC109588
0.9273 High Similarity NPC232237
0.9273 High Similarity NPC105800
0.9273 High Similarity NPC475899
0.9266 High Similarity NPC51465
0.9266 High Similarity NPC476992
0.9266 High Similarity NPC26626
0.9266 High Similarity NPC75287
0.9266 High Similarity NPC288205
0.9266 High Similarity NPC305267
0.9252 High Similarity NPC190837
0.9231 High Similarity NPC173583
0.9189 High Similarity NPC309780
0.9189 High Similarity NPC208381
0.9189 High Similarity NPC157868
0.9189 High Similarity NPC469945
0.9189 High Similarity NPC6377
0.9189 High Similarity NPC475171
0.9189 High Similarity NPC114441
0.9189 High Similarity NPC35405
0.9189 High Similarity NPC473884
0.9189 High Similarity NPC51564
0.9189 High Similarity NPC471577
0.9189 High Similarity NPC135849

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC47063 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
0.9009 High Similarity NPD8295 Clinical (unspecified phase)
0.8889 High Similarity NPD8132 Clinical (unspecified phase)
0.887 High Similarity NPD8328 Phase 3
0.8407 Intermediate Similarity NPD8133 Approved
0.8067 Intermediate Similarity NPD8033 Approved
0.8036 Intermediate Similarity NPD6412 Phase 2
0.7983 Intermediate Similarity NPD8294 Approved
0.7983 Intermediate Similarity NPD8377 Approved
0.7965 Intermediate Similarity NPD6686 Approved
0.7963 Intermediate Similarity NPD7902 Approved
0.7951 Intermediate Similarity NPD7507 Approved
0.7917 Intermediate Similarity NPD8379 Approved
0.7917 Intermediate Similarity NPD8513 Phase 3
0.7917 Intermediate Similarity NPD8296 Approved
0.7917 Intermediate Similarity NPD8516 Approved
0.7917 Intermediate Similarity NPD8515 Approved
0.7917 Intermediate Similarity NPD8378 Approved
0.7917 Intermediate Similarity NPD8335 Approved
0.7917 Intermediate Similarity NPD8380 Approved
0.7917 Intermediate Similarity NPD8517 Approved
0.785 Intermediate Similarity NPD7748 Approved
0.776 Intermediate Similarity NPD7319 Approved
0.7685 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7685 Intermediate Similarity NPD7900 Approved
0.768 Intermediate Similarity NPD7736 Approved
0.7667 Intermediate Similarity NPD7327 Approved
0.7667 Intermediate Similarity NPD7328 Approved
0.7664 Intermediate Similarity NPD7515 Phase 2
0.7603 Intermediate Similarity NPD7516 Approved
0.748 Intermediate Similarity NPD7503 Approved
0.746 Intermediate Similarity NPD8293 Discontinued
0.7458 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD8035 Phase 2
0.7339 Intermediate Similarity NPD8034 Phase 2
0.728 Intermediate Similarity NPD6370 Approved
0.7273 Intermediate Similarity NPD6399 Phase 3
0.725 Intermediate Similarity NPD8297 Approved
0.725 Intermediate Similarity NPD6882 Approved
0.7241 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD7492 Approved
0.7154 Intermediate Similarity NPD7115 Discovery
0.7154 Intermediate Similarity NPD6009 Approved
0.7143 Intermediate Similarity NPD6373 Approved
0.7143 Intermediate Similarity NPD6372 Approved
0.7143 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD6319 Approved
0.712 Intermediate Similarity NPD6059 Approved
0.712 Intermediate Similarity NPD6054 Approved
0.7109 Intermediate Similarity NPD6616 Approved
0.7105 Intermediate Similarity NPD7638 Approved
0.7083 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD8074 Phase 3
0.7054 Intermediate Similarity NPD7078 Approved
0.7049 Intermediate Similarity NPD4632 Approved
0.7043 Intermediate Similarity NPD7639 Approved
0.7043 Intermediate Similarity NPD7640 Approved
0.7034 Intermediate Similarity NPD6402 Approved
0.7034 Intermediate Similarity NPD7128 Approved
0.7034 Intermediate Similarity NPD5739 Approved
0.7034 Intermediate Similarity NPD6675 Approved
0.7025 Intermediate Similarity NPD6650 Approved
0.7025 Intermediate Similarity NPD6649 Approved
0.7019 Intermediate Similarity NPD7645 Phase 2
0.6953 Remote Similarity NPD6067 Discontinued
0.6944 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6929 Remote Similarity NPD6016 Approved
0.6929 Remote Similarity NPD6015 Approved
0.6917 Remote Similarity NPD6899 Approved
0.6917 Remote Similarity NPD7320 Approved
0.6917 Remote Similarity NPD6881 Approved
0.6891 Remote Similarity NPD6008 Approved
0.6885 Remote Similarity NPD8130 Phase 1
0.6875 Remote Similarity NPD5988 Approved
0.6875 Remote Similarity NPD6411 Approved
0.6833 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6833 Remote Similarity NPD5697 Approved
0.6833 Remote Similarity NPD5701 Approved
0.6814 Remote Similarity NPD8171 Discontinued
0.681 Remote Similarity NPD4225 Approved
0.681 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6803 Remote Similarity NPD6883 Approved
0.6803 Remote Similarity NPD7102 Approved
0.6803 Remote Similarity NPD7290 Approved
0.6786 Remote Similarity NPD46 Approved
0.6786 Remote Similarity NPD6698 Approved
0.6759 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6759 Remote Similarity NPD3669 Approved
0.6748 Remote Similarity NPD6869 Approved
0.6748 Remote Similarity NPD6847 Approved
0.6748 Remote Similarity NPD6617 Approved
0.6727 Remote Similarity NPD3618 Phase 1
0.6724 Remote Similarity NPD6084 Phase 2
0.6724 Remote Similarity NPD6083 Phase 2
0.6721 Remote Similarity NPD6014 Approved
0.6721 Remote Similarity NPD6013 Approved
0.6721 Remote Similarity NPD6012 Approved
0.6697 Remote Similarity NPD4786 Approved
0.6696 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6696 Remote Similarity NPD6101 Approved
0.6692 Remote Similarity NPD7604 Phase 2
0.6667 Remote Similarity NPD3667 Approved
0.6667 Remote Similarity NPD5983 Phase 2
0.6667 Remote Similarity NPD3573 Approved
0.6667 Remote Similarity NPD6921 Approved
0.6639 Remote Similarity NPD6011 Approved
0.6617 Remote Similarity NPD6033 Approved
0.6613 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6607 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6591 Remote Similarity NPD6336 Discontinued
0.6581 Remote Similarity NPD4755 Approved
0.6579 Remote Similarity NPD7983 Approved
0.6574 Remote Similarity NPD1779 Approved
0.6574 Remote Similarity NPD1780 Approved
0.6549 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6549 Remote Similarity NPD5328 Approved
0.6544 Remote Similarity NPD8449 Approved
0.6532 Remote Similarity NPD4634 Approved
0.6525 Remote Similarity NPD5696 Approved
0.6522 Remote Similarity NPD5778 Approved
0.6522 Remote Similarity NPD5779 Approved
0.6522 Remote Similarity NPD4202 Approved
0.6515 Remote Similarity NPD8341 Approved
0.6515 Remote Similarity NPD8299 Approved
0.6515 Remote Similarity NPD8340 Approved
0.6515 Remote Similarity NPD8342 Approved
0.65 Remote Similarity NPD7632 Discontinued
0.6496 Remote Similarity NPD8450 Suspended
0.6484 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6481 Remote Similarity NPD7525 Registered
0.6471 Remote Similarity NPD4700 Approved
0.6471 Remote Similarity NPD5285 Approved
0.6471 Remote Similarity NPD5286 Approved
0.6471 Remote Similarity NPD4696 Approved
0.6466 Remote Similarity NPD8451 Approved
0.6435 Remote Similarity NPD6079 Approved
0.6429 Remote Similarity NPD6684 Approved
0.6429 Remote Similarity NPD6409 Approved
0.6429 Remote Similarity NPD7521 Approved
0.6429 Remote Similarity NPD7146 Approved
0.6429 Remote Similarity NPD5330 Approved
0.6429 Remote Similarity NPD7334 Approved
0.6418 Remote Similarity NPD8448 Approved
0.6417 Remote Similarity NPD5344 Discontinued
0.6414 Remote Similarity NPD7625 Phase 1
0.641 Remote Similarity NPD6356 Clinical (unspecified phase)
0.641 Remote Similarity NPD5695 Phase 3
0.6406 Remote Similarity NPD6940 Discontinued
0.6406 Remote Similarity NPD6274 Approved
0.6397 Remote Similarity NPD8391 Approved
0.6397 Remote Similarity NPD8390 Approved
0.6397 Remote Similarity NPD8392 Approved
0.6385 Remote Similarity NPD7100 Approved
0.6385 Remote Similarity NPD7101 Approved
0.6364 Remote Similarity NPD5224 Approved
0.6364 Remote Similarity NPD4633 Approved
0.6364 Remote Similarity NPD5211 Phase 2
0.6364 Remote Similarity NPD5225 Approved
0.6364 Remote Similarity NPD5226 Approved
0.6356 Remote Similarity NPD4697 Phase 3
0.6341 Remote Similarity NPD4767 Approved
0.6341 Remote Similarity NPD4768 Approved
0.6316 Remote Similarity NPD5737 Approved
0.6316 Remote Similarity NPD6903 Approved
0.6316 Remote Similarity NPD6672 Approved
0.6311 Remote Similarity NPD5174 Approved
0.6311 Remote Similarity NPD5175 Approved
0.6308 Remote Similarity NPD7641 Discontinued
0.6308 Remote Similarity NPD6335 Approved
0.6299 Remote Similarity NPD6053 Discontinued
0.6296 Remote Similarity NPD6697 Approved
0.6296 Remote Similarity NPD6114 Approved
0.6296 Remote Similarity NPD6115 Approved
0.6296 Remote Similarity NPD6118 Approved
0.629 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6288 Remote Similarity NPD6909 Approved
0.6288 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6288 Remote Similarity NPD6908 Approved
0.6281 Remote Similarity NPD5223 Approved
0.627 Remote Similarity NPD6371 Approved
0.6261 Remote Similarity NPD4753 Phase 2
0.626 Remote Similarity NPD5141 Approved
0.625 Remote Similarity NPD3668 Phase 3
0.625 Remote Similarity NPD3665 Phase 1
0.625 Remote Similarity NPD8336 Approved
0.625 Remote Similarity NPD3666 Approved
0.625 Remote Similarity NPD8337 Approved
0.625 Remote Similarity NPD3133 Approved
0.6241 Remote Similarity NPD8080 Discontinued
0.624 Remote Similarity NPD4730 Approved
0.624 Remote Similarity NPD4729 Approved
0.6231 Remote Similarity NPD6317 Approved
0.6228 Remote Similarity NPD7524 Approved
0.6218 Remote Similarity NPD5221 Approved
0.6218 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6218 Remote Similarity NPD5222 Approved
0.6218 Remote Similarity NPD7839 Suspended
0.6207 Remote Similarity NPD7838 Discovery
0.6204 Remote Similarity NPD6116 Phase 1
0.6194 Remote Similarity NPD7829 Approved

Structure

External Identifiers

PubChem CID   16109699
ChEMBL   CHEMBL2253397
ZINC  

Physicochemical Properties

Molecular Weight:  692.41
ALogP:  -1.6545
MLogP:  4.43
XLogP:  4.633
# Rotatable Bonds:  17
Polar Surface Area:  175.37
# H-Bond Aceptor:  11
# H-Bond Donor:  6
# Rings:  7
# Heavy Atoms:  49

Download Data

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