Natural Product: NPC475956

Natural Product ID:  NPC475956
Common Name:   n.a.
IUPAC Name:  
Synonyms:   8-N-Pentanoylneosolaniol
Molecular Formula:   C24H34O9
Standard InCHIKey:  QXHICULSTMOREA-FHAHJZMBSA-N
Standard InCHI:  InChI=1S/C24H34O9/c1-6-7-8-18(27)32-16-10-23(11-29-14(3)25)17(9-13(16)2)33-21-19(28)20(31-15(4)26)22(23,5)24(21)12-30-24/h9,16-17,19-21,28H,6-8,10-12H2,1-5H3/t16-,17+,19+,20+,21+,22+,23+,24+/m0/s1
Canonical SMILES:  CCCCC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@@H](C=C1C)O[C@H]1[C@@]3([C@]2(C)[C@H](OC(=O)C)[C@H]1O)CO3
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
NPO11220 Fusarium sporotrichioides Species Nectriaceae Eukaryota PMID[1800633]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT27 Others Unspecified LC100 = 14 ug/ml 8450319

  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 NPC475956 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 NPC252242
0.9895 High Similarity NPC474783
0.9895 High Similarity NPC260809
0.9894 High Similarity NPC26557
0.9789 High Similarity NPC214714
0.9789 High Similarity NPC200672
0.9688 High Similarity NPC232515
0.9681 High Similarity NPC79449
0.9681 High Similarity NPC474957
0.9583 High Similarity NPC475986
0.9574 High Similarity NPC476057
0.9574 High Similarity NPC347923
0.9474 High Similarity NPC274458
0.9368 High Similarity NPC182811
0.9362 High Similarity NPC240838
0.898 High Similarity NPC79631
0.8952 High Similarity NPC305044
0.8952 High Similarity NPC265290
0.8942 High Similarity NPC313921
0.8942 High Similarity NPC98038
0.8932 High Similarity NPC50223
0.8911 High Similarity NPC29389
0.8911 High Similarity NPC93026
0.8911 High Similarity NPC469960
0.8911 High Similarity NPC265502
0.8857 High Similarity NPC101965
0.8857 High Similarity NPC101400
0.8824 High Similarity NPC469959
0.8824 High Similarity NPC469957
0.8824 High Similarity NPC472263
0.8824 High Similarity NPC108682
0.875 High Similarity NPC41551
0.8737 High Similarity NPC197107
0.8532 High Similarity NPC474286
0.8532 High Similarity NPC475130
0.8416 Intermediate Similarity NPC98813
0.8416 Intermediate Similarity NPC13743
0.835 Intermediate Similarity NPC123505
0.8333 Intermediate Similarity NPC287075
0.8317 Intermediate Similarity NPC65700
0.8269 Intermediate Similarity NPC169843
0.819 Intermediate Similarity NPC470980
0.819 Intermediate Similarity NPC475290
0.8131 Intermediate Similarity NPC77089
0.8095 Intermediate Similarity NPC473577
0.8095 Intermediate Similarity NPC475585
0.8095 Intermediate Similarity NPC474550
0.8073 Intermediate Similarity NPC126691
0.8019 Intermediate Similarity NPC60315
0.7982 Intermediate Similarity NPC71680
0.7961 Intermediate Similarity NPC222303
0.7925 Intermediate Similarity NPC181104
0.7925 Intermediate Similarity NPC201144
0.7925 Intermediate Similarity NPC80809
0.7925 Intermediate Similarity NPC475331
0.7925 Intermediate Similarity NPC288502
0.7925 Intermediate Similarity NPC121518
0.7925 Intermediate Similarity NPC475335
0.7925 Intermediate Similarity NPC103298
0.7921 Intermediate Similarity NPC281775
0.7909 Intermediate Similarity NPC241477
0.7905 Intermediate Similarity NPC470972
0.7895 Intermediate Similarity NPC79579
0.789 Intermediate Similarity NPC472215
0.789 Intermediate Similarity NPC15551
0.789 Intermediate Similarity NPC472214
0.787 Intermediate Similarity NPC88701
0.783 Intermediate Similarity NPC473694
0.783 Intermediate Similarity NPC474124
0.783 Intermediate Similarity NPC475623
0.783 Intermediate Similarity NPC473523
0.783 Intermediate Similarity NPC474775
0.783 Intermediate Similarity NPC475334
0.7818 Intermediate Similarity NPC474750
0.781 Intermediate Similarity NPC475617
0.7807 Intermediate Similarity NPC5292
0.7798 Intermediate Similarity NPC284828
0.7798 Intermediate Similarity NPC173905
0.7798 Intermediate Similarity NPC472216
0.7798 Intermediate Similarity NPC5475
0.7788 Intermediate Similarity NPC177232
0.7788 Intermediate Similarity NPC212465
0.7778 Intermediate Similarity NPC72813
0.7778 Intermediate Similarity NPC324327
0.7778 Intermediate Similarity NPC326994
0.7778 Intermediate Similarity NPC194620
0.7778 Intermediate Similarity NPC474421
0.7768 Intermediate Similarity NPC216665
0.7768 Intermediate Similarity NPC178289
0.7767 Intermediate Similarity NPC113433
0.7757 Intermediate Similarity NPC473543
0.7755 Intermediate Similarity NPC137253
0.7755 Intermediate Similarity NPC477668
0.7736 Intermediate Similarity NPC472552
0.7736 Intermediate Similarity NPC476471
0.7736 Intermediate Similarity NPC475344
0.7719 Intermediate Similarity NPC153440
0.7719 Intermediate Similarity NPC475401
0.7714 Intermediate Similarity NPC230546
0.7714 Intermediate Similarity NPC167974
0.7706 Intermediate Similarity NPC55972
0.7706 Intermediate Similarity NPC474664
0.7706 Intermediate Similarity NPC327286
0.7706 Intermediate Similarity NPC233379
0.7706 Intermediate Similarity NPC169888
0.7706 Intermediate Similarity NPC14862
0.7692 Intermediate Similarity NPC210337
0.7685 Intermediate Similarity NPC9303
0.7685 Intermediate Similarity NPC16313
0.7664 Intermediate Similarity NPC69171
0.7664 Intermediate Similarity NPC474165
0.7664 Intermediate Similarity NPC4620
0.7652 Intermediate Similarity NPC278681
0.7652 Intermediate Similarity NPC477092
0.7652 Intermediate Similarity NPC270850
0.7652 Intermediate Similarity NPC305260
0.7642 Intermediate Similarity NPC11974
0.7642 Intermediate Similarity NPC280991
0.7642 Intermediate Similarity NPC472554
0.7636 Intermediate Similarity NPC187876
0.7636 Intermediate Similarity NPC475922
0.7636 Intermediate Similarity NPC15218
0.7632 Intermediate Similarity NPC290693
0.7632 Intermediate Similarity NPC203862
0.7632 Intermediate Similarity NPC475305
0.7629 Intermediate Similarity NPC231601
0.7615 Intermediate Similarity NPC475781
0.7615 Intermediate Similarity NPC144459
0.7611 Intermediate Similarity NPC106446
0.7611 Intermediate Similarity NPC43213
0.7607 Intermediate Similarity NPC115349
0.7607 Intermediate Similarity NPC23786
0.7607 Intermediate Similarity NPC107493
0.7607 Intermediate Similarity NPC470265
0.7596 Intermediate Similarity NPC88009
0.7596 Intermediate Similarity NPC57664
0.7593 Intermediate Similarity NPC470104
0.7593 Intermediate Similarity NPC220964
0.7593 Intermediate Similarity NPC475676
0.7593 Intermediate Similarity NPC258532
0.7589 Intermediate Similarity NPC317687
0.7586 Intermediate Similarity NPC472004
0.7586 Intermediate Similarity NPC112936
0.7586 Intermediate Similarity NPC474585
0.7573 Intermediate Similarity NPC472467
0.757 Intermediate Similarity NPC109195
0.757 Intermediate Similarity NPC475038
0.757 Intermediate Similarity NPC473928
0.757 Intermediate Similarity NPC183571
0.7568 Intermediate Similarity NPC475563
0.7568 Intermediate Similarity NPC475134
0.7568 Intermediate Similarity NPC115257
0.7568 Intermediate Similarity NPC161816
0.7565 Intermediate Similarity NPC16701
0.7549 Intermediate Similarity NPC235051
0.7547 Intermediate Similarity NPC251680
0.7547 Intermediate Similarity NPC272223
0.7547 Intermediate Similarity NPC130792
0.7547 Intermediate Similarity NPC79303
0.7547 Intermediate Similarity NPC473510
0.7545 Intermediate Similarity NPC472439
0.7545 Intermediate Similarity NPC472219
0.7545 Intermediate Similarity NPC10150
0.7545 Intermediate Similarity NPC94377
0.7545 Intermediate Similarity NPC217921
0.7545 Intermediate Similarity NPC128795
0.7545 Intermediate Similarity NPC472825
0.7545 Intermediate Similarity NPC469916
0.7545 Intermediate Similarity NPC472218
0.7545 Intermediate Similarity NPC135015
0.7545 Intermediate Similarity NPC48548
0.7545 Intermediate Similarity NPC472217
0.7544 Intermediate Similarity NPC193382
0.7544 Intermediate Similarity NPC99620
0.7544 Intermediate Similarity NPC310341
0.7544 Intermediate Similarity NPC106228
0.7544 Intermediate Similarity NPC199428
0.7544 Intermediate Similarity NPC277583
0.7544 Intermediate Similarity NPC190286
0.7544 Intermediate Similarity NPC5311
0.7544 Intermediate Similarity NPC138372
0.7542 Intermediate Similarity NPC6193
0.7542 Intermediate Similarity NPC27363
0.7525 Intermediate Similarity NPC299527
0.7524 Intermediate Similarity NPC475033
0.7524 Intermediate Similarity NPC309503
0.7524 Intermediate Similarity NPC472290
0.7524 Intermediate Similarity NPC86843
0.7524 Intermediate Similarity NPC125551
0.7524 Intermediate Similarity NPC475032
0.7524 Intermediate Similarity NPC239547
0.7524 Intermediate Similarity NPC155319
0.7524 Intermediate Similarity NPC96597
0.7524 Intermediate Similarity NPC473244
0.7524 Intermediate Similarity NPC91197
0.7524 Intermediate Similarity NPC205143
0.7523 Intermediate Similarity NPC186668
0.7523 Intermediate Similarity NPC475802
0.7523 Intermediate Similarity NPC119855
0.7523 Intermediate Similarity NPC220217

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475956 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
0.78 Intermediate Similarity NPD46 Approved
0.78 Intermediate Similarity NPD6698 Approved
0.7619 Intermediate Similarity NPD7638 Approved
0.7547 Intermediate Similarity NPD7640 Approved
0.7547 Intermediate Similarity NPD7639 Approved
0.7417 Intermediate Similarity NPD7507 Approved
0.7414 Intermediate Similarity NPD7327 Approved
0.7414 Intermediate Similarity NPD7328 Approved
0.7387 Intermediate Similarity NPD6686 Approved
0.7373 Intermediate Similarity NPD8033 Approved
0.7373 Intermediate Similarity NPD7503 Approved
0.735 Intermediate Similarity NPD7516 Approved
0.7321 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD6412 Phase 2
0.7288 Intermediate Similarity NPD8294 Approved
0.7288 Intermediate Similarity NPD8377 Approved
0.7282 Intermediate Similarity NPD7838 Discovery
0.7281 Intermediate Similarity NPD6053 Discontinued
0.7257 Intermediate Similarity NPD6371 Approved
0.7236 Intermediate Similarity NPD7319 Approved
0.7227 Intermediate Similarity NPD8379 Approved
0.7227 Intermediate Similarity NPD8296 Approved
0.7227 Intermediate Similarity NPD8378 Approved
0.7227 Intermediate Similarity NPD8380 Approved
0.7227 Intermediate Similarity NPD8335 Approved
0.7179 Intermediate Similarity NPD7115 Discovery
0.7157 Intermediate Similarity NPD4250 Approved
0.7157 Intermediate Similarity NPD4251 Approved
0.7143 Intermediate Similarity NPD6319 Approved
0.7143 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5790 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4820 Approved
0.7143 Intermediate Similarity NPD4819 Approved
0.7143 Intermediate Similarity NPD4822 Approved
0.7143 Intermediate Similarity NPD4821 Approved
0.7105 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD4249 Approved
0.7 Intermediate Similarity NPD5344 Discontinued
0.6983 Remote Similarity NPD8297 Approved
0.6961 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6939 Remote Similarity NPD4271 Approved
0.6939 Remote Similarity NPD4268 Approved
0.6937 Remote Similarity NPD7632 Discontinued
0.6923 Remote Similarity NPD4632 Approved
0.6923 Remote Similarity NPD8133 Approved
0.6903 Remote Similarity NPD5739 Approved
0.6903 Remote Similarity NPD6675 Approved
0.6903 Remote Similarity NPD6402 Approved
0.6903 Remote Similarity NPD7128 Approved
0.6897 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6881 Remote Similarity NPD6083 Phase 2
0.6881 Remote Similarity NPD6084 Phase 2
0.687 Remote Similarity NPD6373 Approved
0.687 Remote Similarity NPD6372 Approved
0.6857 Remote Similarity NPD6051 Approved
0.6842 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6832 Remote Similarity NPD6435 Approved
0.6818 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6818 Remote Similarity NPD4225 Approved
0.6803 Remote Similarity NPD8516 Approved
0.6803 Remote Similarity NPD8515 Approved
0.6803 Remote Similarity NPD8517 Approved
0.6803 Remote Similarity NPD8513 Phase 3
0.6783 Remote Similarity NPD6881 Approved
0.6783 Remote Similarity NPD7320 Approved
0.6783 Remote Similarity NPD6899 Approved
0.6774 Remote Similarity NPD7492 Approved
0.6754 Remote Similarity NPD6008 Approved
0.6752 Remote Similarity NPD6649 Approved
0.6752 Remote Similarity NPD6650 Approved
0.6729 Remote Similarity NPD7983 Approved
0.6729 Remote Similarity NPD7637 Suspended
0.6721 Remote Similarity NPD6054 Approved
0.6721 Remote Similarity NPD6059 Approved
0.672 Remote Similarity NPD6616 Approved
0.6697 Remote Similarity NPD5695 Phase 3
0.6696 Remote Similarity NPD5697 Approved
0.6696 Remote Similarity NPD5701 Approved
0.6695 Remote Similarity NPD6882 Approved
0.6694 Remote Similarity NPD7604 Phase 2
0.6667 Remote Similarity NPD6883 Approved
0.6667 Remote Similarity NPD7290 Approved
0.6667 Remote Similarity NPD7102 Approved
0.6667 Remote Similarity NPD7078 Approved
0.6667 Remote Similarity NPD6399 Phase 3
0.6667 Remote Similarity NPD8293 Discontinued
0.6667 Remote Similarity NPD7524 Approved
0.6638 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6636 Remote Similarity NPD5785 Approved
0.6634 Remote Similarity NPD5368 Approved
0.6614 Remote Similarity NPD7736 Approved
0.6613 Remote Similarity NPD6370 Approved
0.6612 Remote Similarity NPD6009 Approved
0.661 Remote Similarity NPD6617 Approved
0.661 Remote Similarity NPD6869 Approved
0.661 Remote Similarity NPD8130 Phase 1
0.661 Remote Similarity NPD6847 Approved
0.6607 Remote Similarity NPD6648 Approved
0.6602 Remote Similarity NPD5362 Discontinued
0.6602 Remote Similarity NPD7154 Phase 3
0.6581 Remote Similarity NPD6013 Approved
0.6581 Remote Similarity NPD6014 Approved
0.6581 Remote Similarity NPD6012 Approved
0.6581 Remote Similarity NPD8132 Clinical (unspecified phase)
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
0.6542 Remote Similarity NPD1695 Approved
0.6538 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6535 Remote Similarity NPD8074 Phase 3
0.6532 Remote Similarity NPD6015 Approved
0.6532 Remote Similarity NPD5983 Phase 2
0.6532 Remote Similarity NPD6016 Approved
0.6525 Remote Similarity NPD4634 Approved
0.6518 Remote Similarity NPD5696 Approved
0.6514 Remote Similarity NPD5778 Approved
0.6514 Remote Similarity NPD5779 Approved
0.6496 Remote Similarity NPD6011 Approved
0.648 Remote Similarity NPD5988 Approved
0.6471 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6462 Remote Similarity NPD7260 Phase 2
0.6457 Remote Similarity NPD6336 Discontinued
0.6449 Remote Similarity NPD6903 Approved
0.6449 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6442 Remote Similarity NPD5331 Approved
0.6442 Remote Similarity NPD6695 Phase 3
0.6442 Remote Similarity NPD5332 Approved
0.6436 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6429 Remote Similarity NPD4755 Approved
0.6422 Remote Similarity NPD6411 Approved
0.6422 Remote Similarity NPD5693 Phase 1
0.6408 Remote Similarity NPD5369 Approved
0.6408 Remote Similarity NPD4790 Discontinued
0.6404 Remote Similarity NPD4159 Approved
0.6396 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6389 Remote Similarity NPD4753 Phase 2
0.6381 Remote Similarity NPD3666 Approved
0.6381 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6381 Remote Similarity NPD3665 Phase 1
0.6381 Remote Similarity NPD3133 Approved
0.6364 Remote Similarity NPD4202 Approved
0.6348 Remote Similarity NPD5211 Phase 2
0.6346 Remote Similarity NPD4269 Approved
0.6346 Remote Similarity NPD4270 Approved
0.6321 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6321 Remote Similarity NPD1694 Approved
0.6316 Remote Similarity NPD4700 Approved
0.6316 Remote Similarity NPD4696 Approved
0.6316 Remote Similarity NPD5285 Approved
0.6316 Remote Similarity NPD5286 Approved
0.6299 Remote Similarity NPD8328 Phase 3
0.6299 Remote Similarity NPD6067 Discontinued
0.6273 Remote Similarity NPD5284 Approved
0.6273 Remote Similarity NPD5281 Approved
0.6271 Remote Similarity NPD6685 Approved
0.6262 Remote Similarity NPD5786 Approved
0.6262 Remote Similarity NPD6098 Approved
0.626 Remote Similarity NPD6274 Approved
0.624 Remote Similarity NPD7100 Approved
0.624 Remote Similarity NPD7101 Approved
0.6239 Remote Similarity NPD6904 Approved
0.6239 Remote Similarity NPD5141 Approved
0.6239 Remote Similarity NPD6673 Approved
0.6239 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6239 Remote Similarity NPD6080 Approved
0.6239 Remote Similarity NPD6101 Approved
0.6231 Remote Similarity NPD6033 Approved
0.6226 Remote Similarity NPD4786 Approved
0.621 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6207 Remote Similarity NPD4633 Approved
0.6207 Remote Similarity NPD5225 Approved
0.6207 Remote Similarity NPD5226 Approved
0.6207 Remote Similarity NPD5224 Approved
0.6204 Remote Similarity NPD7750 Discontinued
0.6204 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6202 Remote Similarity NPD8273 Phase 1
0.6195 Remote Similarity NPD4792 Clinical (unspecified phase)
0.619 Remote Similarity NPD3667 Approved
0.619 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6186 Remote Similarity NPD4768 Approved
0.6186 Remote Similarity NPD4767 Approved
0.6168 Remote Similarity NPD5363 Approved
0.6165 Remote Similarity NPD6845 Suspended
0.6161 Remote Similarity NPD7748 Approved
0.6161 Remote Similarity NPD5282 Discontinued
0.616 Remote Similarity NPD6335 Approved
0.6154 Remote Similarity NPD7525 Registered
0.6154 Remote Similarity NPD6931 Approved
0.6154 Remote Similarity NPD4252 Approved
0.6154 Remote Similarity NPD5174 Approved
0.6154 Remote Similarity NPD6930 Phase 2
0.6154 Remote Similarity NPD5175 Approved
0.6147 Remote Similarity NPD5737 Approved
0.6147 Remote Similarity NPD6672 Approved
0.6142 Remote Similarity NPD6908 Approved
0.6142 Remote Similarity NPD6921 Approved
0.6142 Remote Similarity NPD6909 Approved

Structure

External Identifiers

PubChem CID   44576029
ChEMBL   CHEMBL519640
ZINC  

Physicochemical Properties

Molecular Weight:  466.22
ALogP:  -1.1466
MLogP:  3.11
XLogP:  1.753
# Rotatable Bonds:  16
Polar Surface Area:  120.89
# H-Bond Aceptor:  9
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  33

Download Data

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