Natural Product: NPC472199

Natural Product ID:  NPC472199
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C38H68O11
Standard InCHIKey:  IXACCXKOOUBCOZ-SMYMJKOMSA-N
Standard InCHI:  InChI=1S/C38H68O11/c1-12-19(2)13-20(3)14-26(9)36(49-38-35(45)34(44)33(43)29(18-39)48-38)27(10)17-24(7)31(41)22(5)15-21(4)30(40)23(6)16-25(8)32(42)28(11)37(46)47/h15-17,19-20,22-23,26-36,38-45H,12-14,18H2,1-11H3,(H,46,47)/b21-15+,24-17+,25-16+/t19-,20-,22-,23-,26-,27-,28+,29+,30+,31-,32+,33+,34-,35-,36+,38-/m0/s1
Canonical SMILES:  CC[C@@H](C[C@@H](C[C@@H]([C@H]([C@H](/C=C(/[C@H]([C@H](/C=C(/[C@H]([C@H](/C=C(/[C@H]([C@H](C(=O)O)C)O)C)C)O)C)C)O)C)C)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
NPO33169 bionectria ochroleuca Species Bionectriaceae Eukaryota PMID[25302529]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT20 Organism Candida albicans Candida albicans Ratio < 0.05 12086488
NPT20 Organism Candida albicans Candida albicans Ratio = 0.25 Open TG-GATES in vivo data: Hematology
NPT20 Organism Candida albicans Candida albicans IC50 > 100000 nM 18500841
NPT20 Organism Candida albicans Candida albicans IC50 = 2400 nM DrugMatrix in vitro pharmacology data

  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 NPC472199 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
0.977 High Similarity NPC472198
0.954 High Similarity NPC472197
0.9 High Similarity NPC472195
0.9 High Similarity NPC238090
0.9 High Similarity NPC472196
0.8977 High Similarity NPC137368
0.8901 High Similarity NPC159698
0.8791 High Similarity NPC320089
0.8478 Intermediate Similarity NPC9447
0.8409 Intermediate Similarity NPC69469
0.837 Intermediate Similarity NPC313670
0.8316 Intermediate Similarity NPC54731
0.8222 Intermediate Similarity NPC477747
0.8222 Intermediate Similarity NPC477746
0.8182 Intermediate Similarity NPC236649
0.8182 Intermediate Similarity NPC21693
0.8125 Intermediate Similarity NPC306041
0.81 Intermediate Similarity NPC469869
0.8081 Intermediate Similarity NPC201191
0.8046 Intermediate Similarity NPC133377
0.8043 Intermediate Similarity NPC475037
0.8043 Intermediate Similarity NPC86005
0.8043 Intermediate Similarity NPC477959
0.8041 Intermediate Similarity NPC476613
0.8041 Intermediate Similarity NPC476612
0.8022 Intermediate Similarity NPC471494
0.802 Intermediate Similarity NPC476740
0.802 Intermediate Similarity NPC476738
0.8 Intermediate Similarity NPC473500
0.8 Intermediate Similarity NPC478037
0.8 Intermediate Similarity NPC470313
0.8 Intermediate Similarity NPC156089
0.8 Intermediate Similarity NPC38295
0.8 Intermediate Similarity NPC309398
0.8 Intermediate Similarity NPC478036
0.7979 Intermediate Similarity NPC202886
0.7979 Intermediate Similarity NPC473311
0.7961 Intermediate Similarity NPC315836
0.7961 Intermediate Similarity NPC313668
0.7959 Intermediate Similarity NPC203627
0.7955 Intermediate Similarity NPC321728
0.7938 Intermediate Similarity NPC165332
0.7938 Intermediate Similarity NPC195645
0.7938 Intermediate Similarity NPC180722
0.7935 Intermediate Similarity NPC311163
0.7931 Intermediate Similarity NPC110813
0.7921 Intermediate Similarity NPC470768
0.7912 Intermediate Similarity NPC266718
0.7905 Intermediate Similarity NPC174836
0.7895 Intermediate Similarity NPC477749
0.7895 Intermediate Similarity NPC235051
0.7885 Intermediate Similarity NPC83005
0.7879 Intermediate Similarity NPC469871
0.7879 Intermediate Similarity NPC469870
0.7872 Intermediate Similarity NPC477748
0.7865 Intermediate Similarity NPC163362
0.7865 Intermediate Similarity NPC127295
0.7857 Intermediate Similarity NPC472290
0.7857 Intermediate Similarity NPC40812
0.783 Intermediate Similarity NPC264153
0.7826 Intermediate Similarity NPC475034
0.7826 Intermediate Similarity NPC470124
0.7822 Intermediate Similarity NPC475367
0.7822 Intermediate Similarity NPC474581
0.7822 Intermediate Similarity NPC473816
0.7812 Intermediate Similarity NPC61201
0.78 Intermediate Similarity NPC154127
0.78 Intermediate Similarity NPC475655
0.78 Intermediate Similarity NPC57586
0.78 Intermediate Similarity NPC98859
0.78 Intermediate Similarity NPC2313
0.78 Intermediate Similarity NPC20673
0.78 Intermediate Similarity NPC471637
0.78 Intermediate Similarity NPC476611
0.78 Intermediate Similarity NPC4637
0.78 Intermediate Similarity NPC475157
0.78 Intermediate Similarity NPC154132
0.7789 Intermediate Similarity NPC6414
0.7789 Intermediate Similarity NPC303451
0.7778 Intermediate Similarity NPC472015
0.7766 Intermediate Similarity NPC201046
0.7757 Intermediate Similarity NPC181145
0.7755 Intermediate Similarity NPC143446
0.7755 Intermediate Similarity NPC474297
0.7755 Intermediate Similarity NPC241911
0.7745 Intermediate Similarity NPC470519
0.7745 Intermediate Similarity NPC231271
0.7742 Intermediate Similarity NPC208473
0.7732 Intermediate Similarity NPC5418
0.7732 Intermediate Similarity NPC256368
0.7723 Intermediate Similarity NPC223834
0.7723 Intermediate Similarity NPC313569
0.7717 Intermediate Similarity NPC475035
0.7706 Intermediate Similarity NPC475309
0.77 Intermediate Similarity NPC255677
0.77 Intermediate Similarity NPC306344
0.77 Intermediate Similarity NPC22149
0.77 Intermediate Similarity NPC244878
0.77 Intermediate Similarity NPC473146
0.7692 Intermediate Similarity NPC473807
0.7692 Intermediate Similarity NPC177524
0.7692 Intermediate Similarity NPC219900
0.7692 Intermediate Similarity NPC193765
0.7692 Intermediate Similarity NPC392
0.7684 Intermediate Similarity NPC478110
0.767 Intermediate Similarity NPC470767
0.767 Intermediate Similarity NPC470763
0.767 Intermediate Similarity NPC315070
0.7667 Intermediate Similarity NPC100697
0.7664 Intermediate Similarity NPC293658
0.7664 Intermediate Similarity NPC474410
0.7664 Intermediate Similarity NPC311592
0.7664 Intermediate Similarity NPC75167
0.7658 Intermediate Similarity NPC170880
0.7658 Intermediate Similarity NPC183353
0.7658 Intermediate Similarity NPC469812
0.7653 Intermediate Similarity NPC36954
0.7653 Intermediate Similarity NPC108141
0.7653 Intermediate Similarity NPC469543
0.7647 Intermediate Similarity NPC234304
0.7647 Intermediate Similarity NPC267869
0.7647 Intermediate Similarity NPC197736
0.7647 Intermediate Similarity NPC197541
0.7647 Intermediate Similarity NPC284929
0.7647 Intermediate Similarity NPC118761
0.7642 Intermediate Similarity NPC31839
0.7642 Intermediate Similarity NPC297945
0.7642 Intermediate Similarity NPC126897
0.7634 Intermediate Similarity NPC242233
0.7629 Intermediate Similarity NPC471483
0.7629 Intermediate Similarity NPC320552
0.7624 Intermediate Similarity NPC28304
0.7624 Intermediate Similarity NPC298255
0.7624 Intermediate Similarity NPC198992
0.7619 Intermediate Similarity NPC40728
0.7619 Intermediate Similarity NPC118225
0.7604 Intermediate Similarity NPC118078
0.76 Intermediate Similarity NPC255592
0.76 Intermediate Similarity NPC70733
0.76 Intermediate Similarity NPC187761
0.76 Intermediate Similarity NPC477928
0.76 Intermediate Similarity NPC261377
0.76 Intermediate Similarity NPC308567
0.76 Intermediate Similarity NPC151093
0.76 Intermediate Similarity NPC83895
0.76 Intermediate Similarity NPC475653
0.76 Intermediate Similarity NPC56071
0.76 Intermediate Similarity NPC161855
0.7596 Intermediate Similarity NPC293512
0.7596 Intermediate Similarity NPC472390
0.7593 Intermediate Similarity NPC472274
0.7582 Intermediate Similarity NPC280367
0.7582 Intermediate Similarity NPC469469
0.7579 Intermediate Similarity NPC248312
0.7579 Intermediate Similarity NPC470137
0.7576 Intermediate Similarity NPC473605
0.7576 Intermediate Similarity NPC475540
0.7576 Intermediate Similarity NPC255410
0.7576 Intermediate Similarity NPC475375
0.7576 Intermediate Similarity NPC288350
0.7576 Intermediate Similarity NPC173329
0.7576 Intermediate Similarity NPC473765
0.7576 Intermediate Similarity NPC475525
0.7576 Intermediate Similarity NPC475241
0.7576 Intermediate Similarity NPC475164
0.7576 Intermediate Similarity NPC476066
0.7576 Intermediate Similarity NPC475593
0.7573 Intermediate Similarity NPC220964
0.7573 Intermediate Similarity NPC474917
0.7573 Intermediate Similarity NPC86095
0.7573 Intermediate Similarity NPC475676
0.757 Intermediate Similarity NPC48249
0.757 Intermediate Similarity NPC1046
0.757 Intermediate Similarity NPC80843
0.7556 Intermediate Similarity NPC86971
0.7553 Intermediate Similarity NPC278283
0.7551 Intermediate Similarity NPC96736
0.7551 Intermediate Similarity NPC71589
0.7551 Intermediate Similarity NPC294293
0.7551 Intermediate Similarity NPC178949
0.7549 Intermediate Similarity NPC473596
0.7549 Intermediate Similarity NPC13171
0.7549 Intermediate Similarity NPC471599
0.7549 Intermediate Similarity NPC222062
0.7549 Intermediate Similarity NPC195510
0.7547 Intermediate Similarity NPC472508
0.7547 Intermediate Similarity NPC242611
0.7547 Intermediate Similarity NPC274507
0.7545 Intermediate Similarity NPC234522
0.7527 Intermediate Similarity NPC288471
0.7527 Intermediate Similarity NPC473308
0.7526 Intermediate Similarity NPC302584
0.7525 Intermediate Similarity NPC64348
0.7525 Intermediate Similarity NPC324667
0.7524 Intermediate Similarity NPC295389
0.7524 Intermediate Similarity NPC135015
0.7524 Intermediate Similarity NPC217921
0.7524 Intermediate Similarity NPC472507
0.7524 Intermediate Similarity NPC128795
0.7524 Intermediate Similarity NPC48548

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472199 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
0.8478 Intermediate Similarity NPD7983 Approved
0.8172 Intermediate Similarity NPD46 Approved
0.8172 Intermediate Similarity NPD6698 Approved
0.7959 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.7938 Intermediate Similarity NPD7839 Suspended
0.7692 Intermediate Similarity NPD6686 Approved
0.7658 Intermediate Similarity NPD8515 Approved
0.7658 Intermediate Similarity NPD8513 Phase 3
0.7658 Intermediate Similarity NPD8516 Approved
0.7658 Intermediate Similarity NPD8517 Approved
0.7642 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7604 Intermediate Similarity NPD7838 Discovery
0.7345 Intermediate Similarity NPD8444 Approved
0.7304 Intermediate Similarity NPD8342 Approved
0.7304 Intermediate Similarity NPD8340 Approved
0.7304 Intermediate Similarity NPD8341 Approved
0.7304 Intermediate Similarity NPD8299 Approved
0.7273 Intermediate Similarity NPD5779 Approved
0.7273 Intermediate Similarity NPD5778 Approved
0.7217 Intermediate Similarity NPD7830 Approved
0.7217 Intermediate Similarity NPD7829 Approved
0.7113 Intermediate Similarity NPD4250 Approved
0.7113 Intermediate Similarity NPD4251 Approved
0.7103 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD5790 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD8451 Approved
0.7053 Intermediate Similarity NPD7154 Phase 3
0.7034 Intermediate Similarity NPD8448 Approved
0.7034 Intermediate Similarity NPD8074 Phase 3
0.701 Intermediate Similarity NPD4249 Approved
0.7 Intermediate Similarity NPD7637 Suspended
0.6991 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6991 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6972 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6944 Remote Similarity NPD6412 Phase 2
0.693 Remote Similarity NPD7641 Discontinued
0.6923 Remote Similarity NPD8328 Phase 3
0.6923 Remote Similarity NPD7642 Approved
0.6915 Remote Similarity NPD4820 Approved
0.6915 Remote Similarity NPD4822 Approved
0.6915 Remote Similarity NPD4821 Approved
0.6915 Remote Similarity NPD4819 Approved
0.6909 Remote Similarity NPD6371 Approved
0.6882 Remote Similarity NPD4268 Approved
0.6882 Remote Similarity NPD4271 Approved
0.686 Remote Similarity NPD8390 Approved
0.686 Remote Similarity NPD8391 Approved
0.686 Remote Similarity NPD8392 Approved
0.6804 Remote Similarity NPD6400 Clinical (unspecified phase)
0.68 Remote Similarity NPD6101 Approved
0.68 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6792 Remote Similarity NPD5344 Discontinued
0.6777 Remote Similarity NPD7319 Approved
0.6771 Remote Similarity NPD4269 Approved
0.6771 Remote Similarity NPD4270 Approved
0.6762 Remote Similarity NPD4225 Approved
0.6752 Remote Similarity NPD8033 Approved
0.6752 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6733 Remote Similarity NPD8522 Clinical (unspecified phase)
0.6726 Remote Similarity NPD8133 Approved
0.6701 Remote Similarity NPD5362 Discontinued
0.6695 Remote Similarity NPD8080 Discontinued
0.6667 Remote Similarity NPD8294 Approved
0.6667 Remote Similarity NPD5786 Approved
0.6667 Remote Similarity NPD8377 Approved
0.6667 Remote Similarity NPD6411 Approved
0.6667 Remote Similarity NPD8273 Phase 1
0.6667 Remote Similarity NPD7507 Approved
0.6638 Remote Similarity NPD7327 Approved
0.6638 Remote Similarity NPD7328 Approved
0.661 Remote Similarity NPD8379 Approved
0.661 Remote Similarity NPD8378 Approved
0.661 Remote Similarity NPD8335 Approved
0.661 Remote Similarity NPD8296 Approved
0.661 Remote Similarity NPD8380 Approved
0.6581 Remote Similarity NPD7516 Approved
0.6566 Remote Similarity NPD5363 Approved
0.6562 Remote Similarity NPD4252 Approved
0.6531 Remote Similarity NPD6110 Phase 1
0.6531 Remote Similarity NPD5331 Approved
0.6531 Remote Similarity NPD5332 Approved
0.6495 Remote Similarity NPD4790 Discontinued
0.6495 Remote Similarity NPD5369 Approved
0.6471 Remote Similarity NPD7503 Approved
0.646 Remote Similarity NPD6421 Discontinued
0.6429 Remote Similarity NPD6435 Approved
0.6408 Remote Similarity NPD5785 Approved
0.64 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6389 Remote Similarity NPD6648 Approved
0.6389 Remote Similarity NPD7639 Approved
0.6389 Remote Similarity NPD7640 Approved
0.6381 Remote Similarity NPD5282 Discontinued
0.6354 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6346 Remote Similarity NPD4810 Clinical (unspecified phase)
0.6341 Remote Similarity NPD8293 Discontinued
0.6328 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6311 Remote Similarity NPD5370 Suspended
0.6296 Remote Similarity NPD7638 Approved
0.629 Remote Similarity NPD7736 Approved
0.6279 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6275 Remote Similarity NPD7524 Approved
0.6273 Remote Similarity NPD8086 Approved
0.6273 Remote Similarity NPD8139 Approved
0.6273 Remote Similarity NPD8085 Approved
0.6273 Remote Similarity NPD8082 Approved
0.6273 Remote Similarity NPD8084 Approved
0.6273 Remote Similarity NPD8083 Approved
0.6273 Remote Similarity NPD8138 Approved
0.6271 Remote Similarity NPD7500 Approved
0.6238 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6224 Remote Similarity NPD5368 Approved
0.6216 Remote Similarity NPD8276 Approved
0.6216 Remote Similarity NPD8275 Approved
0.6168 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6161 Remote Similarity NPD8081 Approved
0.6154 Remote Similarity NPD896 Approved
0.6154 Remote Similarity NPD897 Approved
0.6154 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6154 Remote Similarity NPD898 Approved
0.6148 Remote Similarity NPD6370 Approved
0.614 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6139 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6134 Remote Similarity NPD7115 Discovery
0.6129 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6124 Remote Similarity NPD8415 Approved
0.6106 Remote Similarity NPD8393 Approved
0.6068 Remote Similarity NPD6053 Discontinued
0.6066 Remote Similarity NPD8267 Approved
0.6066 Remote Similarity NPD8266 Approved
0.6066 Remote Similarity NPD8269 Approved
0.6066 Remote Similarity NPD8268 Approved
0.6053 Remote Similarity NPD8307 Discontinued
0.6053 Remote Similarity NPD8140 Approved
0.6048 Remote Similarity NPD7492 Approved
0.6043 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6042 Remote Similarity NPD8039 Approved
0.604 Remote Similarity NPD6695 Phase 3
0.6032 Remote Similarity NPD8336 Approved
0.6032 Remote Similarity NPD8337 Approved
0.6023 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6019 Remote Similarity NPD6422 Discontinued
0.6 Remote Similarity NPD6616 Approved
0.6 Remote Similarity NPD3197 Phase 1
0.5984 Remote Similarity NPD6059 Approved
0.5984 Remote Similarity NPD6054 Approved
0.5984 Remote Similarity NPD6319 Approved
0.5983 Remote Similarity NPD7116 Clinical (unspecified phase)
0.5981 Remote Similarity NPD6399 Phase 3
0.5965 Remote Similarity NPD5048 Discontinued
0.5963 Remote Similarity NPD4792 Clinical (unspecified phase)
0.5962 Remote Similarity NPD7750 Discontinued
0.596 Remote Similarity NPD7329 Approved
0.5952 Remote Similarity NPD7078 Approved
0.5948 Remote Similarity NPD8306 Approved
0.5948 Remote Similarity NPD8305 Approved
0.5948 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5943 Remote Similarity NPD3168 Discontinued
0.5897 Remote Similarity NPD8087 Discontinued
0.5882 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5882 Remote Similarity NPD3669 Approved
0.5868 Remote Similarity NPD7505 Discontinued
0.5849 Remote Similarity NPD1695 Approved
0.5846 Remote Similarity NPD8338 Approved
0.5841 Remote Similarity NPD7632 Discontinued
0.5833 Remote Similarity NPD3181 Approved
0.5824 Remote Similarity NPD7909 Approved
0.5806 Remote Similarity NPD6015 Approved
0.5806 Remote Similarity NPD6016 Approved
0.58 Remote Similarity NPD6929 Approved
0.5798 Remote Similarity NPD6430 Approved
0.5798 Remote Similarity NPD8297 Approved
0.5798 Remote Similarity NPD6882 Approved
0.5798 Remote Similarity NPD6429 Approved
0.5784 Remote Similarity NPD5209 Approved
0.578 Remote Similarity NPD7748 Approved
0.5778 Remote Similarity NPD368 Approved
0.5776 Remote Similarity NPD6685 Approved
0.5766 Remote Similarity NPD7902 Approved
0.5763 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5761 Remote Similarity NPD2685 Clinical (unspecified phase)
0.576 Remote Similarity NPD5988 Approved
0.5758 Remote Similarity NPD6925 Approved
0.5758 Remote Similarity NPD4756 Discovery
0.5758 Remote Similarity NPD5776 Phase 2
0.5743 Remote Similarity NPD7332 Phase 2
0.5743 Remote Similarity NPD6931 Approved
0.5743 Remote Similarity NPD7514 Phase 3
0.5743 Remote Similarity NPD6930 Phase 2
0.5738 Remote Similarity NPD6009 Approved
0.5735 Remote Similarity NPD8384 Approved
0.5714 Remote Similarity NPD8264 Approved
0.5714 Remote Similarity NPD2204 Approved
0.5714 Remote Similarity NPD6067 Discontinued
0.57 Remote Similarity NPD3732 Approved
0.57 Remote Similarity NPD7145 Approved
0.57 Remote Similarity NPD4238 Approved
0.57 Remote Similarity NPD4802 Phase 2
0.5692 Remote Similarity NPD6914 Discontinued
0.5686 Remote Similarity NPD6902 Approved
0.568 Remote Similarity NPD6921 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3344129
ZINC  

Physicochemical Properties

Molecular Weight:  700.48
ALogP:  -0.3036
MLogP:  4.43
XLogP:  4.09
# Rotatable Bonds:  39
Polar Surface Area:  197.37
# H-Bond Aceptor:  11
# H-Bond Donor:  8
# Rings:  1
# Heavy Atoms:  49

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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