Natural Product: NPC283567

Natural Product ID:  NPC283567
Common Name:   Diepoxynyalolide
IUPAC Name:  
Synonyms:   Diepoxynyalolide
Molecular Formula:   C41H62O8
Standard InCHIKey:  NAINEJISFQGSGR-CGYFNPQMSA-N
Standard InCHI:  InChI=1S/C41H62O8/c1-23(2)28-20-32(42)26(5)12-10-11-24(3)18-33(43)31-19-27(6)29-21-35(45)40(8)37(49-40)15-16-39(7)36(48-39)14-13-25(4)17-30(29)41(31,22-34(28)44)38(46)47-9/h17,23-24,26,28,30-31,35-37,45H,10-16,18-22H2,1-9H3/b25-17+/t24-,26+,28-,30-,31+,35-,36+,37+,39-,40-,41-/m0/s1
Canonical SMILES:  COC(=O)[C@@]12CC(=O)[C@@H](CC(=O)[C@H](C)CCC[C@@H](CC(=O)[C@H]2CC(=C2[C@@H]1/C=C(C)/CC[C@H]1O[C@@]1(C)CC[C@@H]1[C@@]([C@H](C2)O)(C)O1)C)C)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
NPO8080 Sarcophyton elegans Species Alcyoniidae Eukaryota PMID[18004813]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT176 Organism Artemia salina Artemia salina LC50 = 1500 nM 12502361

  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 NPC283567 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
0.9167 High Similarity NPC124246
0.899 High Similarity NPC476126
0.899 High Similarity NPC476235
0.8889 High Similarity NPC477870
0.8889 High Similarity NPC476134
0.8889 High Similarity NPC477871
0.8889 High Similarity NPC476213
0.8889 High Similarity NPC101067
0.8889 High Similarity NPC476246
0.8812 High Similarity NPC470104
0.8529 High Similarity NPC475321
0.8235 Intermediate Similarity NPC167974
0.8137 Intermediate Similarity NPC222303
0.8 Intermediate Similarity NPC69171
0.8 Intermediate Similarity NPC474165
0.7963 Intermediate Similarity NPC475922
0.7959 Intermediate Similarity NPC309656
0.7909 Intermediate Similarity NPC317687
0.7905 Intermediate Similarity NPC183571
0.789 Intermediate Similarity NPC115257
0.789 Intermediate Similarity NPC161816
0.787 Intermediate Similarity NPC327286
0.787 Intermediate Similarity NPC469916
0.787 Intermediate Similarity NPC55972
0.787 Intermediate Similarity NPC472439
0.787 Intermediate Similarity NPC169888
0.785 Intermediate Similarity NPC477877
0.7818 Intermediate Similarity NPC317107
0.781 Intermediate Similarity NPC97435
0.7798 Intermediate Similarity NPC15218
0.7778 Intermediate Similarity NPC293512
0.7778 Intermediate Similarity NPC72813
0.7778 Intermediate Similarity NPC474421
0.7778 Intermediate Similarity NPC324327
0.7778 Intermediate Similarity NPC326994
0.7778 Intermediate Similarity NPC194620
0.7757 Intermediate Similarity NPC65523
0.7748 Intermediate Similarity NPC37739
0.7748 Intermediate Similarity NPC46388
0.7745 Intermediate Similarity NPC67831
0.7745 Intermediate Similarity NPC174051
0.7736 Intermediate Similarity NPC473928
0.7736 Intermediate Similarity NPC478176
0.7719 Intermediate Similarity NPC234522
0.7706 Intermediate Similarity NPC474664
0.7706 Intermediate Similarity NPC258323
0.7706 Intermediate Similarity NPC151393
0.7706 Intermediate Similarity NPC94377
0.7706 Intermediate Similarity NPC233379
0.7706 Intermediate Similarity NPC14862
0.7699 Intermediate Similarity NPC474333
0.7685 Intermediate Similarity NPC102352
0.7685 Intermediate Similarity NPC9303
0.7685 Intermediate Similarity NPC16313
0.7679 Intermediate Similarity NPC47063
0.7679 Intermediate Similarity NPC204458
0.7679 Intermediate Similarity NPC269315
0.7679 Intermediate Similarity NPC138334
0.7679 Intermediate Similarity NPC189884
0.7679 Intermediate Similarity NPC271138
0.7679 Intermediate Similarity NPC471204
0.767 Intermediate Similarity NPC108141
0.7664 Intermediate Similarity NPC8196
0.7664 Intermediate Similarity NPC99266
0.7664 Intermediate Similarity NPC4620
0.7658 Intermediate Similarity NPC191763
0.7642 Intermediate Similarity NPC233012
0.7642 Intermediate Similarity NPC476132
0.7642 Intermediate Similarity NPC54909
0.7636 Intermediate Similarity NPC218853
0.7636 Intermediate Similarity NPC118225
0.7632 Intermediate Similarity NPC296822
0.7619 Intermediate Similarity NPC70733
0.7619 Intermediate Similarity NPC56071
0.7615 Intermediate Similarity NPC471601
0.7615 Intermediate Similarity NPC112780
0.7615 Intermediate Similarity NPC230541
0.7615 Intermediate Similarity NPC59530
0.7615 Intermediate Similarity NPC143609
0.7611 Intermediate Similarity NPC473898
0.7611 Intermediate Similarity NPC473882
0.7604 Intermediate Similarity NPC327002
0.76 Intermediate Similarity NPC201046
0.7596 Intermediate Similarity NPC469369
0.7596 Intermediate Similarity NPC8803
0.7596 Intermediate Similarity NPC471775
0.7596 Intermediate Similarity NPC469528
0.7593 Intermediate Similarity NPC475036
0.7593 Intermediate Similarity NPC220964
0.7593 Intermediate Similarity NPC475676
0.7593 Intermediate Similarity NPC258532
0.7589 Intermediate Similarity NPC256798
0.7589 Intermediate Similarity NPC473877
0.7589 Intermediate Similarity NPC116794
0.7589 Intermediate Similarity NPC128925
0.7589 Intermediate Similarity NPC174836
0.7589 Intermediate Similarity NPC280782
0.757 Intermediate Similarity NPC137430
0.757 Intermediate Similarity NPC223834
0.7568 Intermediate Similarity NPC475317
0.7568 Intermediate Similarity NPC52241
0.7568 Intermediate Similarity NPC83005
0.7568 Intermediate Similarity NPC154856
0.7568 Intermediate Similarity NPC472214
0.7568 Intermediate Similarity NPC114961
0.7568 Intermediate Similarity NPC27551
0.7568 Intermediate Similarity NPC472215
0.7568 Intermediate Similarity NPC274507
0.7549 Intermediate Similarity NPC475972
0.7549 Intermediate Similarity NPC475441
0.7549 Intermediate Similarity NPC208839
0.7549 Intermediate Similarity NPC262870
0.7547 Intermediate Similarity NPC476195
0.7545 Intermediate Similarity NPC295389
0.7545 Intermediate Similarity NPC192813
0.7545 Intermediate Similarity NPC154608
0.7545 Intermediate Similarity NPC472219
0.7545 Intermediate Similarity NPC293850
0.7545 Intermediate Similarity NPC277017
0.7545 Intermediate Similarity NPC472218
0.7545 Intermediate Similarity NPC322903
0.7545 Intermediate Similarity NPC472217
0.7544 Intermediate Similarity NPC96312
0.7544 Intermediate Similarity NPC160415
0.7544 Intermediate Similarity NPC58448
0.7544 Intermediate Similarity NPC328374
0.7544 Intermediate Similarity NPC270478
0.7544 Intermediate Similarity NPC251236
0.7544 Intermediate Similarity NPC40632
0.7541 Intermediate Similarity NPC476193
0.7524 Intermediate Similarity NPC272451
0.7523 Intermediate Similarity NPC471332
0.7523 Intermediate Similarity NPC475494
0.7523 Intermediate Similarity NPC111952
0.7523 Intermediate Similarity NPC196528
0.7523 Intermediate Similarity NPC470587
0.7523 Intermediate Similarity NPC471333
0.7523 Intermediate Similarity NPC95243
0.7523 Intermediate Similarity NPC475802
0.7523 Intermediate Similarity NPC63023
0.7523 Intermediate Similarity NPC162033
0.7522 Intermediate Similarity NPC49451
0.7522 Intermediate Similarity NPC159333
0.7522 Intermediate Similarity NPC200944
0.7522 Intermediate Similarity NPC75167
0.7522 Intermediate Similarity NPC477266
0.7522 Intermediate Similarity NPC73455
0.7522 Intermediate Similarity NPC311592
0.7521 Intermediate Similarity NPC310511
0.75 Intermediate Similarity NPC473481
0.75 Intermediate Similarity NPC477926
0.75 Intermediate Similarity NPC474775
0.75 Intermediate Similarity NPC474783
0.75 Intermediate Similarity NPC470186
0.75 Intermediate Similarity NPC260809
0.75 Intermediate Similarity NPC19239
0.75 Intermediate Similarity NPC474166
0.75 Intermediate Similarity NPC30397
0.75 Intermediate Similarity NPC211798
0.75 Intermediate Similarity NPC235841
0.75 Intermediate Similarity NPC108748
0.75 Intermediate Similarity NPC297208
0.7478 Intermediate Similarity NPC68175
0.7477 Intermediate Similarity NPC87335
0.7477 Intermediate Similarity NPC306746
0.7477 Intermediate Similarity NPC310546
0.7477 Intermediate Similarity NPC204407
0.7477 Intermediate Similarity NPC472216
0.7477 Intermediate Similarity NPC237503
0.7477 Intermediate Similarity NPC137917
0.7477 Intermediate Similarity NPC153239
0.7477 Intermediate Similarity NPC5475
0.7477 Intermediate Similarity NPC98225
0.7477 Intermediate Similarity NPC42662
0.7477 Intermediate Similarity NPC167383
0.7477 Intermediate Similarity NPC57362
0.7477 Intermediate Similarity NPC173905
0.7477 Intermediate Similarity NPC141350
0.7477 Intermediate Similarity NPC476270
0.7477 Intermediate Similarity NPC284828
0.7477 Intermediate Similarity NPC256247
0.7477 Intermediate Similarity NPC115862
0.7476 Intermediate Similarity NPC212486
0.7475 Intermediate Similarity NPC329738
0.7458 Intermediate Similarity NPC470265
0.7458 Intermediate Similarity NPC23786
0.7456 Intermediate Similarity NPC181145
0.7456 Intermediate Similarity NPC472400
0.7456 Intermediate Similarity NPC117712
0.7456 Intermediate Similarity NPC73314
0.7456 Intermediate Similarity NPC475633
0.7456 Intermediate Similarity NPC473798
0.7455 Intermediate Similarity NPC3316
0.7455 Intermediate Similarity NPC144854
0.7455 Intermediate Similarity NPC67321
0.7455 Intermediate Similarity NPC187435
0.7451 Intermediate Similarity NPC232202
0.7451 Intermediate Similarity NPC478003
0.7451 Intermediate Similarity NPC158388
0.7451 Intermediate Similarity NPC478004

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC283567 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
0.7624 Intermediate Similarity NPD6698 Approved
0.7624 Intermediate Similarity NPD46 Approved
0.7477 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7476 Intermediate Similarity NPD6399 Phase 3
0.7411 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD7983 Approved
0.7196 Intermediate Similarity NPD7902 Approved
0.7143 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6412 Phase 2
0.7115 Intermediate Similarity NPD7838 Discovery
0.7105 Intermediate Similarity NPD6371 Approved
0.708 Intermediate Similarity NPD6686 Approved
0.7034 Intermediate Similarity NPD7115 Discovery
0.7018 Intermediate Similarity NPD6373 Approved
0.7018 Intermediate Similarity NPD6372 Approved
0.7 Intermediate Similarity NPD5344 Discontinued
0.6983 Remote Similarity NPD8297 Approved
0.6972 Remote Similarity NPD5696 Approved
0.6967 Remote Similarity NPD8328 Phase 3
0.6916 Remote Similarity NPD7900 Approved
0.6916 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6916 Remote Similarity NPD7748 Approved
0.6903 Remote Similarity NPD6008 Approved
0.6897 Remote Similarity NPD6649 Approved
0.6897 Remote Similarity NPD6650 Approved
0.6891 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6887 Remote Similarity NPD6411 Approved
0.6881 Remote Similarity NPD6083 Phase 2
0.6881 Remote Similarity NPD6084 Phase 2
0.686 Remote Similarity NPD6319 Approved
0.6842 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6822 Remote Similarity NPD5779 Approved
0.6822 Remote Similarity NPD5778 Approved
0.6783 Remote Similarity NPD5345 Clinical (unspecified phase)
0.678 Remote Similarity NPD4632 Approved
0.6759 Remote Similarity NPD5282 Discontinued
0.6754 Remote Similarity NPD6675 Approved
0.6754 Remote Similarity NPD7128 Approved
0.6754 Remote Similarity NPD6402 Approved
0.6754 Remote Similarity NPD5739 Approved
0.6752 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6729 Remote Similarity NPD7515 Phase 2
0.6699 Remote Similarity NPD4786 Approved
0.6698 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6698 Remote Similarity NPD6101 Approved
0.6697 Remote Similarity NPD5695 Phase 3
0.6667 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3667 Approved
0.6639 Remote Similarity NPD8133 Approved
0.6638 Remote Similarity NPD6881 Approved
0.6638 Remote Similarity NPD6899 Approved
0.6638 Remote Similarity NPD7320 Approved
0.661 Remote Similarity NPD8130 Phase 1
0.6607 Remote Similarity NPD6648 Approved
0.6574 Remote Similarity NPD8034 Phase 2
0.6574 Remote Similarity NPD8035 Phase 2
0.6571 Remote Similarity NPD6409 Approved
0.6571 Remote Similarity NPD7146 Approved
0.6571 Remote Similarity NPD5330 Approved
0.6571 Remote Similarity NPD6684 Approved
0.6571 Remote Similarity NPD7521 Approved
0.6571 Remote Similarity NPD7334 Approved
0.6569 Remote Similarity NPD5369 Approved
0.656 Remote Similarity NPD7604 Phase 2
0.6555 Remote Similarity NPD6882 Approved
0.6555 Remote Similarity NPD6053 Discontinued
0.6552 Remote Similarity NPD5697 Approved
0.6552 Remote Similarity NPD5701 Approved
0.6545 Remote Similarity NPD5210 Approved
0.6545 Remote Similarity NPD4629 Approved
0.6535 Remote Similarity NPD8293 Discontinued
0.6532 Remote Similarity NPD8513 Phase 3
0.6532 Remote Similarity NPD8516 Approved
0.6532 Remote Similarity NPD8517 Approved
0.6532 Remote Similarity NPD8515 Approved
0.6525 Remote Similarity NPD6883 Approved
0.6525 Remote Similarity NPD7290 Approved
0.6525 Remote Similarity NPD7102 Approved
0.6518 Remote Similarity NPD7638 Approved
0.6518 Remote Similarity NPD4225 Approved
0.6508 Remote Similarity NPD7492 Approved
0.6505 Remote Similarity NPD6435 Approved
0.6484 Remote Similarity NPD7736 Approved
0.6476 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6475 Remote Similarity NPD6009 Approved
0.6471 Remote Similarity NPD6847 Approved
0.6471 Remote Similarity NPD6869 Approved
0.6471 Remote Similarity NPD6617 Approved
0.6462 Remote Similarity NPD7260 Phase 2
0.646 Remote Similarity NPD7640 Approved
0.646 Remote Similarity NPD7639 Approved
0.6457 Remote Similarity NPD7507 Approved
0.6457 Remote Similarity NPD6616 Approved
0.6452 Remote Similarity NPD6059 Approved
0.6452 Remote Similarity NPD6054 Approved
0.6449 Remote Similarity NPD6672 Approved
0.6449 Remote Similarity NPD6903 Approved
0.6449 Remote Similarity NPD5737 Approved
0.6449 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6441 Remote Similarity NPD6013 Approved
0.6441 Remote Similarity NPD6012 Approved
0.6441 Remote Similarity NPD6014 Approved
0.6422 Remote Similarity NPD5284 Approved
0.6422 Remote Similarity NPD5281 Approved
0.6415 Remote Similarity NPD3618 Phase 1
0.6406 Remote Similarity NPD7078 Approved
0.64 Remote Similarity NPD5983 Phase 2
0.6396 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6396 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6389 Remote Similarity NPD4753 Phase 2
0.6389 Remote Similarity NPD1695 Approved
0.6381 Remote Similarity NPD3666 Approved
0.6381 Remote Similarity NPD3665 Phase 1
0.6381 Remote Similarity NPD3133 Approved
0.6356 Remote Similarity NPD6011 Approved
0.6355 Remote Similarity NPD7524 Approved
0.6349 Remote Similarity NPD6370 Approved
0.6339 Remote Similarity NPD7839 Suspended
0.6333 Remote Similarity NPD6401 Clinical (unspecified phase)
0.633 Remote Similarity NPD3168 Discontinued
0.6328 Remote Similarity NPD6336 Discontinued
0.6311 Remote Similarity NPD5368 Approved
0.6308 Remote Similarity NPD7319 Approved
0.6286 Remote Similarity NPD7154 Phase 3
0.6283 Remote Similarity NPD4755 Approved
0.6279 Remote Similarity NPD8074 Phase 3
0.6275 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6273 Remote Similarity NPD7637 Suspended
0.627 Remote Similarity NPD6016 Approved
0.627 Remote Similarity NPD6015 Approved
0.627 Remote Similarity NPD6921 Approved
0.627 Remote Similarity NPD8033 Approved
0.6262 Remote Similarity NPD5786 Approved
0.6262 Remote Similarity NPD6098 Approved
0.625 Remote Similarity NPD4634 Approved
0.6239 Remote Similarity NPD6904 Approved
0.6239 Remote Similarity NPD6673 Approved
0.6239 Remote Similarity NPD6080 Approved
0.6239 Remote Similarity NPD5328 Approved
0.6239 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6226 Remote Similarity NPD3668 Phase 3
0.6226 Remote Similarity NPD7338 Clinical (unspecified phase)
0.622 Remote Similarity NPD5988 Approved
0.6216 Remote Similarity NPD4202 Approved
0.6204 Remote Similarity NPD4251 Approved
0.6204 Remote Similarity NPD4250 Approved
0.6202 Remote Similarity NPD8273 Phase 1
0.6195 Remote Similarity NPD4697 Phase 3
0.619 Remote Similarity NPD8294 Approved
0.619 Remote Similarity NPD4270 Approved
0.619 Remote Similarity NPD8377 Approved
0.619 Remote Similarity NPD4269 Approved
0.6182 Remote Similarity NPD5785 Approved
0.6174 Remote Similarity NPD5285 Approved
0.6174 Remote Similarity NPD5286 Approved
0.6174 Remote Similarity NPD4700 Approved
0.6174 Remote Similarity NPD4696 Approved
0.6165 Remote Similarity NPD6845 Suspended
0.6161 Remote Similarity NPD6001 Approved
0.616 Remote Similarity NPD7328 Approved
0.616 Remote Similarity NPD7641 Discontinued
0.616 Remote Similarity NPD7327 Approved
0.6154 Remote Similarity NPD4820 Approved
0.6154 Remote Similarity NPD4695 Discontinued
0.6154 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6154 Remote Similarity NPD4822 Approved
0.6154 Remote Similarity NPD4819 Approved
0.6154 Remote Similarity NPD4821 Approved
0.6142 Remote Similarity NPD8296 Approved
0.6142 Remote Similarity NPD8335 Approved
0.6142 Remote Similarity NPD8379 Approved
0.6142 Remote Similarity NPD8380 Approved
0.6142 Remote Similarity NPD7503 Approved
0.6142 Remote Similarity NPD8444 Approved
0.6142 Remote Similarity NPD8378 Approved
0.6139 Remote Similarity NPD8039 Approved
0.6132 Remote Similarity NPD6110 Phase 1
0.6132 Remote Similarity NPD6695 Phase 3
0.6132 Remote Similarity NPD5362 Discontinued
0.6129 Remote Similarity NPD6274 Approved
0.6126 Remote Similarity NPD6050 Approved
0.6126 Remote Similarity NPD6079 Approved
0.6111 Remote Similarity NPD5279 Phase 3
0.6111 Remote Similarity NPD7516 Approved
0.6111 Remote Similarity NPD4249 Approved
0.6111 Remote Similarity NPD7100 Approved
0.6111 Remote Similarity NPD7101 Approved
0.6068 Remote Similarity NPD3653 Clinical (unspecified phase)
0.6068 Remote Similarity NPD4633 Approved
0.6068 Remote Similarity NPD5224 Approved
0.6068 Remote Similarity NPD5225 Approved
0.6068 Remote Similarity NPD5211 Phase 2
0.6068 Remote Similarity NPD5226 Approved
0.6055 Remote Similarity NPD3573 Approved
0.6055 Remote Similarity NPD7750 Discontinued
0.6053 Remote Similarity NPD7732 Phase 3
0.6053 Remote Similarity NPD7614 Phase 1
0.605 Remote Similarity NPD4767 Approved
0.605 Remote Similarity NPD4768 Approved

Structure

External Identifiers

PubChem CID   24762830
ChEMBL   CHEMBL252113
ZINC  

Physicochemical Properties

Molecular Weight:  682.44
ALogP:  1.0357
MLogP:  5.09
XLogP:  4.365
# Rotatable Bonds:  13
Polar Surface Area:  122.8
# H-Bond Aceptor:  8
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  49

Download Data

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