Natural Product: NPC128066

Natural Product ID:  NPC128066
Common Name:   Fusarielin A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C25H38O4
Standard InCHIKey:  LRMWKBJDHOHUEZ-HCZQMODJSA-N
Standard InCHI:  InChI=1S/C25H38O4/c1-7-14(2)21-17(10-8-9-15(3)22(27)16(4)13-26)18-11-20-24(5,28-20)12-19(18)23-25(21,6)29-23/h7-10,16-23,26-27H,11-13H2,1-6H3/b10-8+,14-7+,15-9+/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25+/m0/s1
Canonical SMILES:  OC[C@@H]([C@@H](/C(=C/C=C/[C@H]1[C@@H]2C[C@@H]3O[C@@]3(C[C@H]2[C@H]2[C@]([C@H]1/C(=C/C)/C)(C)O2)C)/C)O)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
NPO31572 Aspergillus sp. Species Aspergillaceae Eukaryota PMID[17564467]
NPO25042 Fusarium tricinctum Species Nectriaceae Eukaryota PMID[21090694]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 31.5 ug/ml 23043462
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 62.5 ug/ml 23964704
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 32.5 ug/ml 22980217
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 62.5 ug/ml 22980217

  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 NPC128066 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
0.9419 High Similarity NPC191323
0.8421 Intermediate Similarity NPC269713
0.8172 Intermediate Similarity NPC119379
0.8161 Intermediate Similarity NPC476646
0.8105 Intermediate Similarity NPC210717
0.8105 Intermediate Similarity NPC103165
0.8046 Intermediate Similarity NPC96362
0.8043 Intermediate Similarity NPC115607
0.8043 Intermediate Similarity NPC49783
0.8043 Intermediate Similarity NPC16265
0.8021 Intermediate Similarity NPC261807
0.7957 Intermediate Similarity NPC295668
0.7955 Intermediate Similarity NPC249423
0.7917 Intermediate Similarity NPC72204
0.7912 Intermediate Similarity NPC255143
0.7912 Intermediate Similarity NPC6391
0.7912 Intermediate Similarity NPC261266
0.7889 Intermediate Similarity NPC83702
0.7889 Intermediate Similarity NPC102048
0.7882 Intermediate Similarity NPC32832
0.7872 Intermediate Similarity NPC41554
0.7872 Intermediate Similarity NPC97404
0.7865 Intermediate Similarity NPC259858
0.7865 Intermediate Similarity NPC155521
0.7857 Intermediate Similarity NPC265485
0.7857 Intermediate Similarity NPC220939
0.7849 Intermediate Similarity NPC97103
0.7835 Intermediate Similarity NPC476040
0.7835 Intermediate Similarity NPC474994
0.7835 Intermediate Similarity NPC476021
0.7816 Intermediate Similarity NPC68119
0.7816 Intermediate Similarity NPC476314
0.7816 Intermediate Similarity NPC13823
0.7802 Intermediate Similarity NPC298595
0.7791 Intermediate Similarity NPC63958
0.7791 Intermediate Similarity NPC265588
0.7789 Intermediate Similarity NPC310013
0.7778 Intermediate Similarity NPC476896
0.7778 Intermediate Similarity NPC477978
0.7766 Intermediate Similarity NPC11216
0.7766 Intermediate Similarity NPC329596
0.7766 Intermediate Similarity NPC291484
0.7766 Intermediate Similarity NPC80561
0.7766 Intermediate Similarity NPC204188
0.7766 Intermediate Similarity NPC3345
0.7765 Intermediate Similarity NPC476366
0.7765 Intermediate Similarity NPC306727
0.7765 Intermediate Similarity NPC201048
0.7738 Intermediate Similarity NPC23954
0.7732 Intermediate Similarity NPC90583
0.7732 Intermediate Similarity NPC288970
0.7732 Intermediate Similarity NPC57664
0.7717 Intermediate Similarity NPC299068
0.7717 Intermediate Similarity NPC281316
0.7711 Intermediate Similarity NPC329989
0.7711 Intermediate Similarity NPC304690
0.7711 Intermediate Similarity NPC74722
0.7711 Intermediate Similarity NPC239373
0.7708 Intermediate Similarity NPC144202
0.7701 Intermediate Similarity NPC91594
0.7701 Intermediate Similarity NPC471798
0.7701 Intermediate Similarity NPC470711
0.7701 Intermediate Similarity NPC470758
0.77 Intermediate Similarity NPC109195
0.77 Intermediate Similarity NPC470571
0.77 Intermediate Similarity NPC475038
0.7692 Intermediate Similarity NPC205845
0.7692 Intermediate Similarity NPC474047
0.7692 Intermediate Similarity NPC474493
0.7684 Intermediate Similarity NPC114389
0.766 Intermediate Similarity NPC470361
0.7653 Intermediate Similarity NPC476893
0.7647 Intermediate Similarity NPC68443
0.7634 Intermediate Similarity NPC189777
0.7634 Intermediate Similarity NPC476948
0.7634 Intermediate Similarity NPC149224
0.7629 Intermediate Similarity NPC8774
0.7629 Intermediate Similarity NPC276110
0.7614 Intermediate Similarity NPC52755
0.7609 Intermediate Similarity NPC164424
0.7609 Intermediate Similarity NPC470360
0.7609 Intermediate Similarity NPC290731
0.7604 Intermediate Similarity NPC27531
0.7604 Intermediate Similarity NPC137461
0.759 Intermediate Similarity NPC305698
0.7586 Intermediate Similarity NPC253190
0.7586 Intermediate Similarity NPC106432
0.7586 Intermediate Similarity NPC470749
0.7582 Intermediate Similarity NPC82538
0.7582 Intermediate Similarity NPC237795
0.7582 Intermediate Similarity NPC475789
0.7579 Intermediate Similarity NPC48732
0.7579 Intermediate Similarity NPC220216
0.7576 Intermediate Similarity NPC476895
0.7576 Intermediate Similarity NPC278673
0.7556 Intermediate Similarity NPC471270
0.7556 Intermediate Similarity NPC320525
0.7553 Intermediate Similarity NPC67872
0.7553 Intermediate Similarity NPC133588
0.7553 Intermediate Similarity NPC474668
0.7551 Intermediate Similarity NPC54248
0.7551 Intermediate Similarity NPC12103
0.7551 Intermediate Similarity NPC227583
0.7551 Intermediate Similarity NPC98457
0.7551 Intermediate Similarity NPC276103
0.7529 Intermediate Similarity NPC167706
0.7527 Intermediate Similarity NPC293287
0.7527 Intermediate Similarity NPC152808
0.7527 Intermediate Similarity NPC139724
0.7527 Intermediate Similarity NPC476217
0.7526 Intermediate Similarity NPC105490
0.7526 Intermediate Similarity NPC65402
0.7526 Intermediate Similarity NPC127718
0.7525 Intermediate Similarity NPC471889
0.75 Intermediate Similarity NPC124374
0.75 Intermediate Similarity NPC476703
0.75 Intermediate Similarity NPC306951
0.75 Intermediate Similarity NPC477427
0.75 Intermediate Similarity NPC231310
0.75 Intermediate Similarity NPC477425
0.75 Intermediate Similarity NPC275671
0.75 Intermediate Similarity NPC38855
0.75 Intermediate Similarity NPC210268
0.75 Intermediate Similarity NPC474826
0.75 Intermediate Similarity NPC238485
0.75 Intermediate Similarity NPC234511
0.75 Intermediate Similarity NPC477426
0.75 Intermediate Similarity NPC86238
0.75 Intermediate Similarity NPC302360
0.7475 Intermediate Similarity NPC473244
0.7475 Intermediate Similarity NPC240372
0.7475 Intermediate Similarity NPC99726
0.7474 Intermediate Similarity NPC261320
0.7474 Intermediate Similarity NPC246028
0.7474 Intermediate Similarity NPC161560
0.7474 Intermediate Similarity NPC477917
0.7474 Intermediate Similarity NPC187785
0.7474 Intermediate Similarity NPC101886
0.7474 Intermediate Similarity NPC259875
0.7473 Intermediate Similarity NPC49964
0.7473 Intermediate Similarity NPC50964
0.7473 Intermediate Similarity NPC101462
0.7473 Intermediate Similarity NPC296701
0.7473 Intermediate Similarity NPC477390
0.7473 Intermediate Similarity NPC477385
0.7473 Intermediate Similarity NPC218616
0.7471 Intermediate Similarity NPC291503
0.747 Intermediate Similarity NPC259299
0.7451 Intermediate Similarity NPC471450
0.7451 Intermediate Similarity NPC134270
0.7451 Intermediate Similarity NPC45897
0.7451 Intermediate Similarity NPC476848
0.7449 Intermediate Similarity NPC476894
0.7449 Intermediate Similarity NPC135224
0.7449 Intermediate Similarity NPC477969
0.7449 Intermediate Similarity NPC476720
0.7447 Intermediate Similarity NPC233744
0.7447 Intermediate Similarity NPC166857
0.7444 Intermediate Similarity NPC471266
0.7444 Intermediate Similarity NPC95124
0.7444 Intermediate Similarity NPC236707
0.7444 Intermediate Similarity NPC287749
0.7444 Intermediate Similarity NPC324772
0.7423 Intermediate Similarity NPC99653
0.7423 Intermediate Similarity NPC7349
0.7419 Intermediate Similarity NPC474349
0.7419 Intermediate Similarity NPC274448
0.7419 Intermediate Similarity NPC474189
0.7419 Intermediate Similarity NPC266511
0.7416 Intermediate Similarity NPC148977
0.7416 Intermediate Similarity NPC83351
0.7416 Intermediate Similarity NPC167891
0.7416 Intermediate Similarity NPC11908
0.7416 Intermediate Similarity NPC477089
0.74 Intermediate Similarity NPC312325
0.7396 Intermediate Similarity NPC470817
0.7396 Intermediate Similarity NPC192437
0.7396 Intermediate Similarity NPC92885
0.7396 Intermediate Similarity NPC78973
0.7396 Intermediate Similarity NPC245410
0.7396 Intermediate Similarity NPC77796
0.7396 Intermediate Similarity NPC270511
0.7396 Intermediate Similarity NPC470390
0.7396 Intermediate Similarity NPC14380
0.7396 Intermediate Similarity NPC476226
0.7391 Intermediate Similarity NPC82623
0.7391 Intermediate Similarity NPC185605
0.7391 Intermediate Similarity NPC470384
0.7391 Intermediate Similarity NPC52108
0.7391 Intermediate Similarity NPC474789
0.7391 Intermediate Similarity NPC476927
0.7391 Intermediate Similarity NPC57370
0.7391 Intermediate Similarity NPC320548
0.7386 Intermediate Similarity NPC170148
0.7381 Intermediate Similarity NPC266578
0.7379 Intermediate Similarity NPC201880
0.7379 Intermediate Similarity NPC264867
0.7379 Intermediate Similarity NPC473207
0.7379 Intermediate Similarity NPC81567
0.7379 Intermediate Similarity NPC470321

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC128066 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
0.7889 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD6648 Approved
0.7778 Intermediate Similarity NPD5344 Discontinued
0.7778 Intermediate Similarity NPD6695 Phase 3
0.7447 Intermediate Similarity NPD7524 Approved
0.7447 Intermediate Similarity NPD7750 Discontinued
0.7444 Intermediate Similarity NPD6931 Approved
0.7444 Intermediate Similarity NPD7514 Phase 3
0.7444 Intermediate Similarity NPD7332 Phase 2
0.7444 Intermediate Similarity NPD6930 Phase 2
0.7363 Intermediate Similarity NPD6902 Approved
0.7333 Intermediate Similarity NPD6929 Approved
0.7273 Intermediate Similarity NPD8264 Approved
0.7253 Intermediate Similarity NPD7525 Registered
0.7222 Intermediate Similarity NPD7145 Approved
0.7216 Intermediate Similarity NPD3168 Discontinued
0.7143 Intermediate Similarity NPD7087 Discontinued
0.7143 Intermediate Similarity NPD7645 Phase 2
0.7111 Intermediate Similarity NPD6932 Approved
0.7111 Intermediate Similarity NPD6925 Approved
0.7111 Intermediate Similarity NPD5776 Phase 2
0.7071 Intermediate Similarity NPD5778 Approved
0.7071 Intermediate Similarity NPD5779 Approved
0.7053 Intermediate Similarity NPD6893 Approved
0.7033 Intermediate Similarity NPD7322 Clinical (unspecified phase)
0.699 Remote Similarity NPD7639 Approved
0.699 Remote Similarity NPD7640 Approved
0.6989 Remote Similarity NPD6898 Phase 1
0.697 Remote Similarity NPD7637 Suspended
0.6966 Remote Similarity NPD6926 Approved
0.6966 Remote Similarity NPD6924 Approved
0.6907 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6893 Remote Similarity NPD7638 Approved
0.6882 Remote Similarity NPD7509 Discontinued
0.6869 Remote Similarity NPD7838 Discovery
0.6813 Remote Similarity NPD6933 Approved
0.6789 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6774 Remote Similarity NPD6683 Phase 2
0.6742 Remote Similarity NPD7151 Approved
0.6742 Remote Similarity NPD7150 Approved
0.6742 Remote Similarity NPD7152 Approved
0.6703 Remote Similarity NPD7339 Approved
0.6703 Remote Similarity NPD6942 Approved
0.6667 Remote Similarity NPD368 Approved
0.6667 Remote Similarity NPD5357 Phase 1
0.663 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6629 Remote Similarity NPD7144 Approved
0.6629 Remote Similarity NPD7143 Approved
0.6577 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6571 Remote Similarity NPD4225 Approved
0.6542 Remote Similarity NPD3653 Clinical (unspecified phase)
0.6535 Remote Similarity NPD7136 Phase 2
0.6522 Remote Similarity NPD7115 Discovery
0.6517 Remote Similarity NPD6923 Approved
0.6517 Remote Similarity NPD6922 Approved
0.6484 Remote Similarity NPD4732 Discontinued
0.6471 Remote Similarity NPD7983 Approved
0.6441 Remote Similarity NPD7503 Approved
0.6436 Remote Similarity NPD6101 Approved
0.6436 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6415 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6389 Remote Similarity NPD7632 Discontinued
0.6389 Remote Similarity NPD5211 Phase 2
0.6373 Remote Similarity NPD6698 Approved
0.6373 Remote Similarity NPD46 Approved
0.6325 Remote Similarity NPD7327 Approved
0.6325 Remote Similarity NPD7328 Approved
0.6311 Remote Similarity NPD6411 Approved
0.6306 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6303 Remote Similarity NPD8033 Approved
0.6296 Remote Similarity NPD4159 Approved
0.6273 Remote Similarity NPD5141 Approved
0.6271 Remote Similarity NPD7516 Approved
0.6263 Remote Similarity NPD4786 Approved
0.625 Remote Similarity NPD6399 Phase 3
0.625 Remote Similarity NPD6881 Approved
0.625 Remote Similarity NPD6899 Approved
0.6238 Remote Similarity NPD4250 Approved
0.6238 Remote Similarity NPD4251 Approved
0.6237 Remote Similarity NPD4785 Approved
0.6237 Remote Similarity NPD4784 Approved
0.6224 Remote Similarity NPD3667 Approved
0.6218 Remote Similarity NPD7741 Discontinued
0.6218 Remote Similarity NPD8377 Approved
0.6218 Remote Similarity NPD8294 Approved
0.6216 Remote Similarity NPD6008 Approved
0.6216 Remote Similarity NPD6675 Approved
0.6216 Remote Similarity NPD7128 Approved
0.6216 Remote Similarity NPD5739 Approved
0.6216 Remote Similarity NPD6402 Approved
0.6216 Remote Similarity NPD6640 Phase 3
0.6204 Remote Similarity NPD5286 Approved
0.6204 Remote Similarity NPD4696 Approved
0.6204 Remote Similarity NPD5285 Approved
0.619 Remote Similarity NPD7748 Approved
0.6186 Remote Similarity NPD4822 Approved
0.6186 Remote Similarity NPD4819 Approved
0.6186 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6186 Remote Similarity NPD4821 Approved
0.6186 Remote Similarity NPD4820 Approved
0.6168 Remote Similarity NPD4755 Approved
0.6168 Remote Similarity NPD7902 Approved
0.6167 Remote Similarity NPD8513 Phase 3
0.6167 Remote Similarity NPD8296 Approved
0.6167 Remote Similarity NPD8335 Approved
0.6167 Remote Similarity NPD8380 Approved
0.6167 Remote Similarity NPD8379 Approved
0.6167 Remote Similarity NPD8516 Approved
0.6167 Remote Similarity NPD8515 Approved
0.6167 Remote Similarity NPD8378 Approved
0.6167 Remote Similarity NPD8517 Approved
0.6161 Remote Similarity NPD5697 Approved
0.6154 Remote Similarity NPD6079 Approved
0.6154 Remote Similarity NPD7515 Phase 2
0.614 Remote Similarity NPD6883 Approved
0.614 Remote Similarity NPD7290 Approved
0.614 Remote Similarity NPD7102 Approved
0.6139 Remote Similarity NPD4249 Approved
0.6139 Remote Similarity NPD3618 Phase 1
0.6117 Remote Similarity NPD5328 Approved
0.6106 Remote Similarity NPD6686 Approved
0.6106 Remote Similarity NPD7320 Approved
0.6106 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6095 Remote Similarity NPD4202 Approved
0.6091 Remote Similarity NPD5226 Approved
0.6091 Remote Similarity NPD5225 Approved
0.6091 Remote Similarity NPD4633 Approved
0.6091 Remote Similarity NPD5224 Approved
0.6087 Remote Similarity NPD8130 Phase 1
0.6087 Remote Similarity NPD6617 Approved
0.6087 Remote Similarity NPD6649 Approved
0.6087 Remote Similarity NPD6847 Approved
0.6087 Remote Similarity NPD6869 Approved
0.6087 Remote Similarity NPD6650 Approved
0.6083 Remote Similarity NPD6054 Approved
0.6075 Remote Similarity NPD7839 Suspended
0.6055 Remote Similarity NPD4700 Approved
0.6053 Remote Similarity NPD6372 Approved
0.6053 Remote Similarity NPD6013 Approved
0.6053 Remote Similarity NPD6014 Approved
0.6053 Remote Similarity NPD6373 Approved
0.6053 Remote Similarity NPD6012 Approved
0.604 Remote Similarity NPD1696 Phase 3
0.6036 Remote Similarity NPD5175 Approved
0.6036 Remote Similarity NPD5174 Approved
0.6034 Remote Similarity NPD6053 Discontinued
0.6034 Remote Similarity NPD6882 Approved
0.6034 Remote Similarity NPD8297 Approved
0.6022 Remote Similarity NPD4243 Approved
0.602 Remote Similarity NPD4748 Discontinued
0.6018 Remote Similarity NPD5701 Approved
0.6018 Remote Similarity NPD6412 Phase 2
0.6 Remote Similarity NPD4634 Approved
0.6 Remote Similarity NPD5223 Approved
0.6 Remote Similarity NPD7154 Phase 3
0.5984 Remote Similarity NPD6370 Approved
0.5983 Remote Similarity NPD4632 Approved
0.5979 Remote Similarity NPD4268 Approved
0.5979 Remote Similarity NPD4271 Approved
0.5968 Remote Similarity NPD7507 Approved
0.5965 Remote Similarity NPD6011 Approved
0.5962 Remote Similarity NPD6051 Approved
0.5955 Remote Similarity NPD371 Approved
0.5952 Remote Similarity NPD342 Phase 1
0.595 Remote Similarity NPD6319 Approved
0.595 Remote Similarity NPD6059 Approved
0.5935 Remote Similarity NPD7604 Phase 2
0.5926 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5926 Remote Similarity NPD5222 Approved
0.5926 Remote Similarity NPD5221 Approved
0.592 Remote Similarity NPD8074 Phase 3
0.5913 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5902 Remote Similarity NPD6015 Approved
0.5902 Remote Similarity NPD6016 Approved
0.5888 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5888 Remote Similarity NPD7900 Approved
0.5888 Remote Similarity NPD5282 Discontinued
0.5887 Remote Similarity NPD7492 Approved
0.5872 Remote Similarity NPD6083 Phase 2
0.5872 Remote Similarity NPD6084 Phase 2
0.5872 Remote Similarity NPD5173 Approved
0.5859 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5854 Remote Similarity NPD5988 Approved
0.5854 Remote Similarity NPD5125 Phase 3
0.5854 Remote Similarity NPD5126 Approved
0.5849 Remote Similarity NPD8035 Phase 2
0.5849 Remote Similarity NPD8034 Phase 2
0.5842 Remote Similarity NPD5362 Discontinued
0.584 Remote Similarity NPD6616 Approved
0.5833 Remote Similarity NPD6009 Approved
0.5827 Remote Similarity NPD7319 Approved
0.5826 Remote Similarity NPD4730 Approved
0.5826 Remote Similarity NPD4729 Approved
0.5825 Remote Similarity NPD4519 Discontinued
0.5825 Remote Similarity NPD4623 Approved
0.5812 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5812 Remote Similarity NPD6401 Clinical (unspecified phase)
0.581 Remote Similarity NPD4753 Phase 2
0.5806 Remote Similarity NPD4267 Clinical (unspecified phase)
0.5794 Remote Similarity NPD7078 Approved

Structure

External Identifiers

PubChem CID   10453753
ChEMBL   CHEMBL228444
ZINC  

Physicochemical Properties

Molecular Weight:  402.28
ALogP:  1.3505
MLogP:  3.77
XLogP:  3.105
# Rotatable Bonds:  14
Polar Surface Area:  65.52
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  29

Download Data

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Structure MOL file  
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Biological Activities  
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