Natural Product: NPC472325

Natural Product ID:  NPC472325
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H32O4
Standard InCHIKey:  RGGZASMNPBPUCJ-ALEDJNDKSA-N
Standard InCHI:  InChI=1S/C20H32O4/c1-6-12(2)15-8-7-14-18(13(3)11-16(21)19(14)23)20(15,4)17(22)9-10-24-5/h7-10,12-16,18-19,21,23H,6,11H2,1-5H3/b10-9+/t12-,13-,14-,15-,16-,18+,19+,20-/m1/s1
Canonical SMILES:  CO/C=C/C(=O)[C@@]1(C)[C@H](C=C[C@@H]2[C@@H]1[C@H](C)C[C@H]([C@H]2O)O)[C@@H](CC)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
NPO33267 eupenicillium sp. lg41 Species Aspergillaceae Eukaryota PMID[25356913]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC > 10 ug/ml 22036991
NPT4080 Organism Acinetobacter sp. Acinetobacter sp. MIC > 10 ug/ml DrugMatrix in vitro pharmacology data
NPT19 Organism Escherichia coli Escherichia coli MIC = 5 ug/ml 18183025
NPT2922 Organism Staphylococcus aureus subsp. aureus Staphylococcus aureus subsp. aureus MIC = 1 ug/ml 15646539

  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 NPC472325 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
0.9643 High Similarity NPC472324
0.8864 High Similarity NPC158778
0.8587 High Similarity NPC472977
0.8587 High Similarity NPC472976
0.8317 Intermediate Similarity NPC239097
0.8298 Intermediate Similarity NPC473170
0.8265 Intermediate Similarity NPC264048
0.8211 Intermediate Similarity NPC473158
0.8182 Intermediate Similarity NPC40170
0.8182 Intermediate Similarity NPC212083
0.8172 Intermediate Similarity NPC472978
0.8172 Intermediate Similarity NPC155304
0.8172 Intermediate Similarity NPC472975
0.8152 Intermediate Similarity NPC472973
0.8132 Intermediate Similarity NPC298904
0.809 Intermediate Similarity NPC64600
0.8022 Intermediate Similarity NPC179591
0.8021 Intermediate Similarity NPC472733
0.8021 Intermediate Similarity NPC472734
0.8 Intermediate Similarity NPC23170
0.8 Intermediate Similarity NPC471207
0.8 Intermediate Similarity NPC196227
0.7981 Intermediate Similarity NPC90769
0.798 Intermediate Similarity NPC473424
0.7979 Intermediate Similarity NPC116726
0.7979 Intermediate Similarity NPC99380
0.7978 Intermediate Similarity NPC48362
0.7959 Intermediate Similarity NPC110149
0.7959 Intermediate Similarity NPC316964
0.7959 Intermediate Similarity NPC112167
0.7957 Intermediate Similarity NPC77263
0.7957 Intermediate Similarity NPC472983
0.7957 Intermediate Similarity NPC275740
0.7957 Intermediate Similarity NPC473100
0.7957 Intermediate Similarity NPC32830
0.7957 Intermediate Similarity NPC86319
0.7957 Intermediate Similarity NPC250592
0.7938 Intermediate Similarity NPC472732
0.7938 Intermediate Similarity NPC474977
0.7938 Intermediate Similarity NPC472731
0.7935 Intermediate Similarity NPC477926
0.7917 Intermediate Similarity NPC317586
0.7917 Intermediate Similarity NPC134067
0.7917 Intermediate Similarity NPC200702
0.7917 Intermediate Similarity NPC470016
0.7912 Intermediate Similarity NPC470574
0.7912 Intermediate Similarity NPC79573
0.7895 Intermediate Similarity NPC474806
0.7895 Intermediate Similarity NPC74855
0.7895 Intermediate Similarity NPC136313
0.7895 Intermediate Similarity NPC109305
0.7895 Intermediate Similarity NPC133579
0.7895 Intermediate Similarity NPC307335
0.7889 Intermediate Similarity NPC278648
0.7889 Intermediate Similarity NPC169941
0.7889 Intermediate Similarity NPC476082
0.7889 Intermediate Similarity NPC105173
0.7889 Intermediate Similarity NPC251475
0.7872 Intermediate Similarity NPC473099
0.7865 Intermediate Similarity NPC473420
0.7865 Intermediate Similarity NPC14151
0.7864 Intermediate Similarity NPC214644
0.7864 Intermediate Similarity NPC27814
0.7857 Intermediate Similarity NPC153776
0.7857 Intermediate Similarity NPC472729
0.7857 Intermediate Similarity NPC114274
0.7857 Intermediate Similarity NPC472730
0.7857 Intermediate Similarity NPC177680
0.7849 Intermediate Similarity NPC206060
0.7849 Intermediate Similarity NPC474925
0.7849 Intermediate Similarity NPC143767
0.7849 Intermediate Similarity NPC471722
0.7849 Intermediate Similarity NPC473229
0.7849 Intermediate Similarity NPC131470
0.7849 Intermediate Similarity NPC328539
0.7835 Intermediate Similarity NPC61369
0.7835 Intermediate Similarity NPC117133
0.7835 Intermediate Similarity NPC469545
0.7835 Intermediate Similarity NPC471463
0.7835 Intermediate Similarity NPC249954
0.7835 Intermediate Similarity NPC5532
0.7826 Intermediate Similarity NPC73038
0.7826 Intermediate Similarity NPC472974
0.7822 Intermediate Similarity NPC118911
0.7816 Intermediate Similarity NPC197659
0.7816 Intermediate Similarity NPC325946
0.7812 Intermediate Similarity NPC473172
0.7812 Intermediate Similarity NPC166906
0.7812 Intermediate Similarity NPC188102
0.7812 Intermediate Similarity NPC103527
0.7812 Intermediate Similarity NPC473162
0.7812 Intermediate Similarity NPC470957
0.7812 Intermediate Similarity NPC470958
0.7812 Intermediate Similarity NPC478089
0.7802 Intermediate Similarity NPC470812
0.78 Intermediate Similarity NPC136289
0.78 Intermediate Similarity NPC477915
0.7791 Intermediate Similarity NPC114236
0.7789 Intermediate Similarity NPC71074
0.7789 Intermediate Similarity NPC189520
0.7789 Intermediate Similarity NPC306541
0.7789 Intermediate Similarity NPC248913
0.7789 Intermediate Similarity NPC185936
0.7789 Intermediate Similarity NPC472149
0.7789 Intermediate Similarity NPC300351
0.7789 Intermediate Similarity NPC235884
0.7789 Intermediate Similarity NPC272746
0.7789 Intermediate Similarity NPC84319
0.7789 Intermediate Similarity NPC168027
0.7789 Intermediate Similarity NPC25299
0.7789 Intermediate Similarity NPC52021
0.7789 Intermediate Similarity NPC473167
0.7778 Intermediate Similarity NPC472728
0.7778 Intermediate Similarity NPC103486
0.7778 Intermediate Similarity NPC472727
0.7766 Intermediate Similarity NPC69627
0.7766 Intermediate Similarity NPC229871
0.7766 Intermediate Similarity NPC1015
0.7766 Intermediate Similarity NPC469319
0.7766 Intermediate Similarity NPC31985
0.7766 Intermediate Similarity NPC119416
0.7755 Intermediate Similarity NPC474938
0.7755 Intermediate Similarity NPC273269
0.7755 Intermediate Similarity NPC27105
0.7755 Intermediate Similarity NPC255589
0.7755 Intermediate Similarity NPC161147
0.7755 Intermediate Similarity NPC254496
0.7755 Intermediate Similarity NPC108078
0.7755 Intermediate Similarity NPC473456
0.7755 Intermediate Similarity NPC285513
0.7755 Intermediate Similarity NPC474785
0.7755 Intermediate Similarity NPC259788
0.7753 Intermediate Similarity NPC2482
0.7745 Intermediate Similarity NPC478052
0.7745 Intermediate Similarity NPC149047
0.7745 Intermediate Similarity NPC102352
0.7742 Intermediate Similarity NPC73064
0.7742 Intermediate Similarity NPC473097
0.7742 Intermediate Similarity NPC138756
0.7742 Intermediate Similarity NPC475740
0.7742 Intermediate Similarity NPC141292
0.7742 Intermediate Similarity NPC58063
0.7736 Intermediate Similarity NPC198539
0.7732 Intermediate Similarity NPC474602
0.7732 Intermediate Similarity NPC53565
0.7732 Intermediate Similarity NPC198245
0.7732 Intermediate Similarity NPC32118
0.7732 Intermediate Similarity NPC96916
0.7732 Intermediate Similarity NPC139570
0.7732 Intermediate Similarity NPC259286
0.7727 Intermediate Similarity NPC62336
0.7723 Intermediate Similarity NPC191892
0.7723 Intermediate Similarity NPC179208
0.7717 Intermediate Similarity NPC202868
0.7717 Intermediate Similarity NPC263997
0.7717 Intermediate Similarity NPC133954
0.7717 Intermediate Similarity NPC197823
0.7717 Intermediate Similarity NPC132228
0.7717 Intermediate Similarity NPC241512
0.7717 Intermediate Similarity NPC32037
0.7717 Intermediate Similarity NPC6185
0.7717 Intermediate Similarity NPC8518
0.7708 Intermediate Similarity NPC272075
0.7708 Intermediate Similarity NPC214756
0.7708 Intermediate Similarity NPC79117
0.7708 Intermediate Similarity NPC477435
0.7708 Intermediate Similarity NPC474736
0.7708 Intermediate Similarity NPC275809
0.7708 Intermediate Similarity NPC69454
0.7708 Intermediate Similarity NPC477436
0.7708 Intermediate Similarity NPC134826
0.7708 Intermediate Similarity NPC295643
0.7701 Intermediate Similarity NPC470525
0.77 Intermediate Similarity NPC81530
0.77 Intermediate Similarity NPC476223
0.77 Intermediate Similarity NPC224720
0.77 Intermediate Similarity NPC472637
0.77 Intermediate Similarity NPC115862
0.77 Intermediate Similarity NPC476240
0.7692 Intermediate Similarity NPC41405
0.7684 Intermediate Similarity NPC183283
0.7684 Intermediate Similarity NPC136801
0.7684 Intermediate Similarity NPC134321
0.7684 Intermediate Similarity NPC474209
0.7684 Intermediate Similarity NPC128672
0.7684 Intermediate Similarity NPC475823
0.7684 Intermediate Similarity NPC49320
0.7684 Intermediate Similarity NPC85173
0.7684 Intermediate Similarity NPC191684
0.7677 Intermediate Similarity NPC478056
0.7677 Intermediate Similarity NPC471330
0.7677 Intermediate Similarity NPC472687
0.7677 Intermediate Similarity NPC99657
0.7677 Intermediate Similarity NPC203388
0.7677 Intermediate Similarity NPC477854
0.7677 Intermediate Similarity NPC471331
0.767 Intermediate Similarity NPC475060
0.767 Intermediate Similarity NPC220229
0.767 Intermediate Similarity NPC3316
0.767 Intermediate Similarity NPC144854

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472325 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
0.8172 Intermediate Similarity NPD6079 Approved
0.7957 Intermediate Similarity NPD5328 Approved
0.7835 Intermediate Similarity NPD5222 Approved
0.7835 Intermediate Similarity NPD5221 Approved
0.7835 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7755 Intermediate Similarity NPD5173 Approved
0.7634 Intermediate Similarity NPD3618 Phase 1
0.7609 Intermediate Similarity NPD4786 Approved
0.7604 Intermediate Similarity NPD7515 Phase 2
0.76 Intermediate Similarity NPD5286 Approved
0.76 Intermediate Similarity NPD4696 Approved
0.76 Intermediate Similarity NPD5285 Approved
0.7582 Intermediate Similarity NPD3667 Approved
0.7556 Intermediate Similarity NPD4695 Discontinued
0.7525 Intermediate Similarity NPD5223 Approved
0.7475 Intermediate Similarity NPD4697 Phase 3
0.7451 Intermediate Similarity NPD5226 Approved
0.7451 Intermediate Similarity NPD5224 Approved
0.7451 Intermediate Similarity NPD5211 Phase 2
0.7451 Intermediate Similarity NPD5225 Approved
0.7451 Intermediate Similarity NPD4633 Approved
0.7449 Intermediate Similarity NPD7748 Approved
0.7429 Intermediate Similarity NPD6899 Approved
0.7429 Intermediate Similarity NPD6881 Approved
0.7423 Intermediate Similarity NPD6411 Approved
0.74 Intermediate Similarity NPD4755 Approved
0.7379 Intermediate Similarity NPD5175 Approved
0.7379 Intermediate Similarity NPD5174 Approved
0.7333 Intermediate Similarity NPD5697 Approved
0.7315 Intermediate Similarity NPD8297 Approved
0.7308 Intermediate Similarity NPD5141 Approved
0.729 Intermediate Similarity NPD7102 Approved
0.729 Intermediate Similarity NPD7290 Approved
0.729 Intermediate Similarity NPD4634 Approved
0.729 Intermediate Similarity NPD6883 Approved
0.7264 Intermediate Similarity NPD6011 Approved
0.7255 Intermediate Similarity NPD4700 Approved
0.7248 Intermediate Similarity NPD4632 Approved
0.7238 Intermediate Similarity NPD5739 Approved
0.7238 Intermediate Similarity NPD7128 Approved
0.7238 Intermediate Similarity NPD6675 Approved
0.7238 Intermediate Similarity NPD6402 Approved
0.7234 Intermediate Similarity NPD3666 Approved
0.7234 Intermediate Similarity NPD3133 Approved
0.7234 Intermediate Similarity NPD3665 Phase 1
0.7228 Intermediate Similarity NPD7902 Approved
0.7222 Intermediate Similarity NPD6847 Approved
0.7222 Intermediate Similarity NPD6650 Approved
0.7222 Intermediate Similarity NPD8130 Phase 1
0.7222 Intermediate Similarity NPD6649 Approved
0.7222 Intermediate Similarity NPD6617 Approved
0.7222 Intermediate Similarity NPD6869 Approved
0.7216 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD6101 Approved
0.7196 Intermediate Similarity NPD6012 Approved
0.7196 Intermediate Similarity NPD6014 Approved
0.7196 Intermediate Similarity NPD6013 Approved
0.7188 Intermediate Similarity NPD3573 Approved
0.7174 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD6399 Phase 3
0.7172 Intermediate Similarity NPD4202 Approved
0.7156 Intermediate Similarity NPD6882 Approved
0.7103 Intermediate Similarity NPD4730 Approved
0.7103 Intermediate Similarity NPD5168 Approved
0.7103 Intermediate Similarity NPD7320 Approved
0.7103 Intermediate Similarity NPD4729 Approved
0.7083 Intermediate Similarity NPD5279 Phase 3
0.7054 Intermediate Similarity NPD7115 Discovery
0.7053 Intermediate Similarity NPD3668 Phase 3
0.7048 Intermediate Similarity NPD4754 Approved
0.7037 Intermediate Similarity NPD6372 Approved
0.7037 Intermediate Similarity NPD6373 Approved
0.7009 Intermediate Similarity NPD5701 Approved
0.7 Intermediate Similarity NPD5779 Approved
0.7 Intermediate Similarity NPD5778 Approved
0.699 Remote Similarity NPD4225 Approved
0.6972 Remote Similarity NPD5250 Approved
0.6972 Remote Similarity NPD5249 Phase 3
0.6972 Remote Similarity NPD5248 Approved
0.6972 Remote Similarity NPD5169 Approved
0.6972 Remote Similarity NPD5247 Approved
0.6972 Remote Similarity NPD5135 Approved
0.6972 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6972 Remote Similarity NPD5251 Approved
0.6964 Remote Similarity NPD6868 Approved
0.6944 Remote Similarity NPD5128 Approved
0.6931 Remote Similarity NPD7900 Approved
0.6931 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6916 Remote Similarity NPD4767 Approved
0.6916 Remote Similarity NPD4768 Approved
0.6909 Remote Similarity NPD5216 Approved
0.6909 Remote Similarity NPD5217 Approved
0.6909 Remote Similarity NPD5127 Approved
0.6909 Remote Similarity NPD5215 Approved
0.6909 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6907 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6903 Remote Similarity NPD6009 Approved
0.6882 Remote Similarity NPD7645 Phase 2
0.687 Remote Similarity NPD6319 Approved
0.687 Remote Similarity NPD6054 Approved
0.6869 Remote Similarity NPD4753 Phase 2
0.6863 Remote Similarity NPD4629 Approved
0.6863 Remote Similarity NPD5210 Approved
0.6842 Remote Similarity NPD6335 Approved
0.6789 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6783 Remote Similarity NPD7100 Approved
0.6783 Remote Similarity NPD7101 Approved
0.6771 Remote Similarity NPD4788 Approved
0.6754 Remote Similarity NPD6317 Approved
0.6752 Remote Similarity NPD6370 Approved
0.6735 Remote Similarity NPD6409 Approved
0.6735 Remote Similarity NPD5330 Approved
0.6735 Remote Similarity NPD7521 Approved
0.6735 Remote Similarity NPD6684 Approved
0.6735 Remote Similarity NPD5690 Phase 2
0.6735 Remote Similarity NPD7146 Approved
0.6735 Remote Similarity NPD7334 Approved
0.6731 Remote Similarity NPD6083 Phase 2
0.6731 Remote Similarity NPD6084 Phase 2
0.6726 Remote Similarity NPD5167 Approved
0.67 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6697 Remote Similarity NPD6412 Phase 2
0.6696 Remote Similarity NPD6313 Approved
0.6696 Remote Similarity NPD6314 Approved
0.6695 Remote Similarity NPD7604 Phase 2
0.6667 Remote Similarity NPD7638 Approved
0.6667 Remote Similarity NPD6016 Approved
0.6667 Remote Similarity NPD4223 Phase 3
0.6667 Remote Similarity NPD4221 Approved
0.6667 Remote Similarity NPD5983 Phase 2
0.6667 Remote Similarity NPD6274 Approved
0.6667 Remote Similarity NPD7331 Phase 2
0.6667 Remote Similarity NPD6435 Approved
0.6667 Remote Similarity NPD6015 Approved
0.6639 Remote Similarity NPD7492 Approved
0.6634 Remote Similarity NPD5785 Approved
0.6633 Remote Similarity NPD5329 Approved
0.6633 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6633 Remote Similarity NPD1694 Approved
0.6632 Remote Similarity NPD5368 Approved
0.6632 Remote Similarity NPD7525 Registered
0.663 Remote Similarity NPD7339 Approved
0.663 Remote Similarity NPD6942 Approved
0.663 Remote Similarity NPD8264 Approved
0.661 Remote Similarity NPD5988 Approved
0.6606 Remote Similarity NPD6008 Approved
0.6604 Remote Similarity NPD7640 Approved
0.6604 Remote Similarity NPD7639 Approved
0.6602 Remote Similarity NPD5282 Discontinued
0.66 Remote Similarity NPD7513 Clinical (unspecified phase)
0.66 Remote Similarity NPD6903 Approved
0.66 Remote Similarity NPD5737 Approved
0.66 Remote Similarity NPD6672 Approved
0.6598 Remote Similarity NPD6110 Phase 1
0.6596 Remote Similarity NPD3617 Approved
0.6596 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6583 Remote Similarity NPD6336 Discontinued
0.6583 Remote Similarity NPD6616 Approved
0.6581 Remote Similarity NPD6059 Approved
0.6577 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6566 Remote Similarity NPD5786 Approved
0.6566 Remote Similarity NPD4519 Discontinued
0.6566 Remote Similarity NPD4623 Approved
0.6562 Remote Similarity NPD5369 Approved
0.6559 Remote Similarity NPD6933 Approved
0.6559 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6555 Remote Similarity NPD8328 Phase 3
0.6552 Remote Similarity NPD7341 Phase 2
0.6538 Remote Similarity NPD5695 Phase 3
0.6538 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6531 Remote Similarity NPD4197 Approved
0.6529 Remote Similarity NPD7078 Approved
0.6525 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6495 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6486 Remote Similarity NPD6686 Approved
0.6475 Remote Similarity NPD7736 Approved
0.6465 Remote Similarity NPD5363 Approved
0.6465 Remote Similarity NPD1696 Phase 3
0.6452 Remote Similarity NPD3703 Phase 2
0.6429 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6429 Remote Similarity NPD7154 Phase 3
0.6408 Remote Similarity NPD8035 Phase 2
0.6408 Remote Similarity NPD5284 Approved
0.6408 Remote Similarity NPD8034 Phase 2
0.6408 Remote Similarity NPD5281 Approved
0.64 Remote Similarity NPD5205 Approved
0.64 Remote Similarity NPD4689 Approved
0.64 Remote Similarity NPD4694 Approved
0.64 Remote Similarity NPD5280 Approved
0.64 Remote Similarity NPD4693 Phase 3
0.64 Remote Similarity NPD4688 Approved
0.64 Remote Similarity NPD4138 Approved
0.64 Remote Similarity NPD4690 Approved
0.6389 Remote Similarity NPD5344 Discontinued
0.6387 Remote Similarity NPD6908 Approved
0.6387 Remote Similarity NPD6909 Approved
0.6381 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6355 Remote Similarity NPD5696 Approved
0.6355 Remote Similarity NPD5290 Discontinued
0.6354 Remote Similarity NPD4195 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3359152
ZINC  

Physicochemical Properties

Molecular Weight:  336.23
ALogP:  -1.0391
MLogP:  3.22
XLogP:  3.627
# Rotatable Bonds:  12
Polar Surface Area:  66.76
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  24

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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