Natural Product: NPC472326

Natural Product ID:  NPC472326
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H22O3
Standard InCHIKey:  FDIVBBVUHYDHDS-COMQUAJESA-N
Standard InCHI:  InChI=1S/C15H22O3/c1-9(2)5-4-6-15(3)11-7-10(14(17)18)8-12(16)13(11)15/h5,7,11-13,16H,4,6,8H2,1-3H3,(H,17,18)/t11-,12+,13-,15+/m1/s1
Canonical SMILES:  CC(=CCC[C@]1(C)[C@@H]2[C@H]1C=C(C[C@@H]2O)C(=O)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
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 Open TG-GATES in vivo data: Hematology
NPT4080 Organism Acinetobacter sp. Acinetobacter sp. MIC = 5 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 > 10 ug/ml 19425589

  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 NPC472326 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
0.8608 High Similarity NPC472327
0.8537 High Similarity NPC271104
0.8372 Intermediate Similarity NPC473226
0.8333 Intermediate Similarity NPC93590
0.8313 Intermediate Similarity NPC172013
0.8293 Intermediate Similarity NPC475994
0.8276 Intermediate Similarity NPC312561
0.8202 Intermediate Similarity NPC469368
0.8193 Intermediate Similarity NPC308038
0.8193 Intermediate Similarity NPC281138
0.8182 Intermediate Similarity NPC473229
0.8161 Intermediate Similarity NPC82979
0.8111 Intermediate Similarity NPC233345
0.8111 Intermediate Similarity NPC186363
0.8072 Intermediate Similarity NPC169095
0.8046 Intermediate Similarity NPC52628
0.8043 Intermediate Similarity NPC183012
0.8 Intermediate Similarity NPC473420
0.8 Intermediate Similarity NPC232426
0.8 Intermediate Similarity NPC281942
0.7979 Intermediate Similarity NPC478056
0.7978 Intermediate Similarity NPC136879
0.7978 Intermediate Similarity NPC104560
0.7978 Intermediate Similarity NPC277771
0.7976 Intermediate Similarity NPC19900
0.7955 Intermediate Similarity NPC6979
0.7952 Intermediate Similarity NPC97377
0.7952 Intermediate Similarity NPC471061
0.7952 Intermediate Similarity NPC197659
0.7931 Intermediate Similarity NPC7927
0.7931 Intermediate Similarity NPC230527
0.7931 Intermediate Similarity NPC82297
0.7927 Intermediate Similarity NPC476795
0.7912 Intermediate Similarity NPC141831
0.7907 Intermediate Similarity NPC158411
0.7907 Intermediate Similarity NPC38796
0.7895 Intermediate Similarity NPC470074
0.7895 Intermediate Similarity NPC476274
0.7889 Intermediate Similarity NPC472983
0.7889 Intermediate Similarity NPC168131
0.7889 Intermediate Similarity NPC218927
0.7889 Intermediate Similarity NPC206001
0.7872 Intermediate Similarity NPC170131
0.7857 Intermediate Similarity NPC62336
0.7849 Intermediate Similarity NPC476174
0.7849 Intermediate Similarity NPC53565
0.7841 Intermediate Similarity NPC28887
0.7841 Intermediate Similarity NPC179006
0.7841 Intermediate Similarity NPC476426
0.7841 Intermediate Similarity NPC474853
0.7831 Intermediate Similarity NPC470525
0.7831 Intermediate Similarity NPC263582
0.7826 Intermediate Similarity NPC166346
0.7826 Intermediate Similarity NPC115021
0.7821 Intermediate Similarity NPC166791
0.7821 Intermediate Similarity NPC322035
0.7821 Intermediate Similarity NPC100719
0.7816 Intermediate Similarity NPC49019
0.7812 Intermediate Similarity NPC476223
0.7812 Intermediate Similarity NPC115862
0.7812 Intermediate Similarity NPC81530
0.7812 Intermediate Similarity NPC224720
0.7812 Intermediate Similarity NPC476240
0.7805 Intermediate Similarity NPC215050
0.7802 Intermediate Similarity NPC134321
0.7789 Intermediate Similarity NPC316598
0.7789 Intermediate Similarity NPC23364
0.7778 Intermediate Similarity NPC48107
0.7778 Intermediate Similarity NPC249889
0.7778 Intermediate Similarity NPC477302
0.7778 Intermediate Similarity NPC193843
0.7753 Intermediate Similarity NPC194417
0.7753 Intermediate Similarity NPC477920
0.7753 Intermediate Similarity NPC472974
0.7753 Intermediate Similarity NPC202394
0.7753 Intermediate Similarity NPC475461
0.7753 Intermediate Similarity NPC250981
0.7753 Intermediate Similarity NPC305475
0.7742 Intermediate Similarity NPC53685
0.7742 Intermediate Similarity NPC196227
0.7738 Intermediate Similarity NPC74995
0.7738 Intermediate Similarity NPC203403
0.7738 Intermediate Similarity NPC476007
0.7732 Intermediate Similarity NPC136289
0.7727 Intermediate Similarity NPC114979
0.7727 Intermediate Similarity NPC470812
0.7727 Intermediate Similarity NPC191476
0.7727 Intermediate Similarity NPC165064
0.7722 Intermediate Similarity NPC472875
0.7717 Intermediate Similarity NPC116726
0.7717 Intermediate Similarity NPC252433
0.7711 Intermediate Similarity NPC474885
0.7711 Intermediate Similarity NPC114236
0.7701 Intermediate Similarity NPC279186
0.7701 Intermediate Similarity NPC73882
0.7692 Intermediate Similarity NPC214387
0.7692 Intermediate Similarity NPC50488
0.7692 Intermediate Similarity NPC118011
0.7692 Intermediate Similarity NPC314727
0.7692 Intermediate Similarity NPC5509
0.7692 Intermediate Similarity NPC474396
0.7692 Intermediate Similarity NPC36668
0.7692 Intermediate Similarity NPC310236
0.7692 Intermediate Similarity NPC477215
0.7692 Intermediate Similarity NPC476388
0.7692 Intermediate Similarity NPC477973
0.7684 Intermediate Similarity NPC70145
0.7684 Intermediate Similarity NPC91695
0.7684 Intermediate Similarity NPC474343
0.7683 Intermediate Similarity NPC35656
0.7683 Intermediate Similarity NPC186042
0.7674 Intermediate Similarity NPC148685
0.7674 Intermediate Similarity NPC104120
0.7674 Intermediate Similarity NPC471514
0.7674 Intermediate Similarity NPC472301
0.7674 Intermediate Similarity NPC157895
0.7674 Intermediate Similarity NPC45495
0.7667 Intermediate Similarity NPC470012
0.7667 Intermediate Similarity NPC477926
0.7667 Intermediate Similarity NPC237540
0.7653 Intermediate Similarity NPC476237
0.7647 Intermediate Similarity NPC172066
0.7647 Intermediate Similarity NPC239098
0.7647 Intermediate Similarity NPC192006
0.7647 Intermediate Similarity NPC198240
0.7647 Intermediate Similarity NPC74410
0.7647 Intermediate Similarity NPC178852
0.764 Intermediate Similarity NPC165162
0.764 Intermediate Similarity NPC15807
0.764 Intermediate Similarity NPC177932
0.764 Intermediate Similarity NPC109528
0.764 Intermediate Similarity NPC255307
0.7634 Intermediate Similarity NPC476416
0.7634 Intermediate Similarity NPC109305
0.7629 Intermediate Similarity NPC97435
0.7629 Intermediate Similarity NPC469657
0.7629 Intermediate Similarity NPC244456
0.7614 Intermediate Similarity NPC470948
0.7614 Intermediate Similarity NPC297398
0.7614 Intermediate Similarity NPC22611
0.7614 Intermediate Similarity NPC105173
0.7614 Intermediate Similarity NPC312480
0.7614 Intermediate Similarity NPC193198
0.7614 Intermediate Similarity NPC243347
0.7614 Intermediate Similarity NPC57370
0.7614 Intermediate Similarity NPC97913
0.7609 Intermediate Similarity NPC477149
0.7609 Intermediate Similarity NPC128672
0.7609 Intermediate Similarity NPC473099
0.7609 Intermediate Similarity NPC477147
0.7609 Intermediate Similarity NPC158488
0.7604 Intermediate Similarity NPC166745
0.7604 Intermediate Similarity NPC235464
0.7604 Intermediate Similarity NPC197386
0.7604 Intermediate Similarity NPC194196
0.7604 Intermediate Similarity NPC216478
0.7586 Intermediate Similarity NPC325031
0.7586 Intermediate Similarity NPC159148
0.7586 Intermediate Similarity NPC470298
0.7586 Intermediate Similarity NPC226068
0.7586 Intermediate Similarity NPC470241
0.7582 Intermediate Similarity NPC471791
0.7582 Intermediate Similarity NPC117122
0.7582 Intermediate Similarity NPC471793
0.7582 Intermediate Similarity NPC215831
0.7579 Intermediate Similarity NPC117133
0.7579 Intermediate Similarity NPC116457
0.7579 Intermediate Similarity NPC235053
0.7579 Intermediate Similarity NPC202833
0.7579 Intermediate Similarity NPC29152
0.7579 Intermediate Similarity NPC301534
0.7579 Intermediate Similarity NPC472941
0.7579 Intermediate Similarity NPC456
0.7579 Intermediate Similarity NPC250757
0.7576 Intermediate Similarity NPC118911
0.7561 Intermediate Similarity NPC474884
0.7558 Intermediate Similarity NPC246458
0.7558 Intermediate Similarity NPC89128
0.7558 Intermediate Similarity NPC152061
0.7558 Intermediate Similarity NPC470239
0.7558 Intermediate Similarity NPC470244
0.7558 Intermediate Similarity NPC7232
0.7556 Intermediate Similarity NPC198761
0.7556 Intermediate Similarity NPC85698
0.7556 Intermediate Similarity NPC476982
0.7556 Intermediate Similarity NPC472986
0.7556 Intermediate Similarity NPC186975
0.7556 Intermediate Similarity NPC472985
0.7556 Intermediate Similarity NPC185638
0.7556 Intermediate Similarity NPC470955
0.7556 Intermediate Similarity NPC322159
0.7553 Intermediate Similarity NPC476186
0.7553 Intermediate Similarity NPC181393
0.7553 Intermediate Similarity NPC217624
0.7553 Intermediate Similarity NPC477130
0.7553 Intermediate Similarity NPC477129
0.7553 Intermediate Similarity NPC475572
0.7553 Intermediate Similarity NPC250075
0.7551 Intermediate Similarity NPC195290
0.7551 Intermediate Similarity NPC118405

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472326 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
0.764 Intermediate Similarity NPD1694 Approved
0.7444 Intermediate Similarity NPD5363 Approved
0.7444 Intermediate Similarity NPD1696 Phase 3
0.7419 Intermediate Similarity NPD5785 Approved
0.7363 Intermediate Similarity NPD3618 Phase 1
0.734 Intermediate Similarity NPD7515 Phase 2
0.7292 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3665 Phase 1
0.7143 Intermediate Similarity NPD3133 Approved
0.7143 Intermediate Similarity NPD7902 Approved
0.7143 Intermediate Similarity NPD3666 Approved
0.7111 Intermediate Similarity NPD4269 Approved
0.7111 Intermediate Similarity NPD4270 Approved
0.7111 Intermediate Similarity NPD3667 Approved
0.7083 Intermediate Similarity NPD5779 Approved
0.7083 Intermediate Similarity NPD5778 Approved
0.7083 Intermediate Similarity NPD6399 Phase 3
0.7071 Intermediate Similarity NPD4225 Approved
0.7053 Intermediate Similarity NPD46 Approved
0.7053 Intermediate Similarity NPD6698 Approved
0.7048 Intermediate Similarity NPD6371 Approved
0.7033 Intermediate Similarity NPD5362 Discontinued
0.701 Intermediate Similarity NPD7748 Approved
0.6979 Remote Similarity NPD6079 Approved
0.6979 Remote Similarity NPD6411 Approved
0.6972 Remote Similarity NPD7115 Discovery
0.6957 Remote Similarity NPD4786 Approved
0.6947 Remote Similarity NPD5328 Approved
0.6923 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6907 Remote Similarity NPD4202 Approved
0.6889 Remote Similarity NPD4252 Approved
0.6889 Remote Similarity NPD4821 Approved
0.6889 Remote Similarity NPD4822 Approved
0.6889 Remote Similarity NPD4819 Approved
0.6889 Remote Similarity NPD4695 Discontinued
0.6889 Remote Similarity NPD4820 Approved
0.6875 Remote Similarity NPD368 Approved
0.6863 Remote Similarity NPD5211 Phase 2
0.6854 Remote Similarity NPD4268 Approved
0.6854 Remote Similarity NPD4271 Approved
0.6848 Remote Similarity NPD7154 Phase 3
0.6837 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6837 Remote Similarity NPD7900 Approved
0.6832 Remote Similarity NPD7640 Approved
0.6832 Remote Similarity NPD7639 Approved
0.6809 Remote Similarity NPD5330 Approved
0.6809 Remote Similarity NPD5279 Phase 3
0.6809 Remote Similarity NPD7521 Approved
0.6809 Remote Similarity NPD4623 Approved
0.6809 Remote Similarity NPD5786 Approved
0.6809 Remote Similarity NPD7146 Approved
0.6809 Remote Similarity NPD4519 Discontinued
0.6809 Remote Similarity NPD7334 Approved
0.6809 Remote Similarity NPD6684 Approved
0.6809 Remote Similarity NPD6409 Approved
0.6804 Remote Similarity NPD5284 Approved
0.6804 Remote Similarity NPD5281 Approved
0.6771 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6771 Remote Similarity NPD6101 Approved
0.6762 Remote Similarity NPD5697 Approved
0.6742 Remote Similarity NPD4756 Discovery
0.6733 Remote Similarity NPD7638 Approved
0.6731 Remote Similarity NPD5141 Approved
0.6703 Remote Similarity NPD5790 Clinical (unspecified phase)
0.67 Remote Similarity NPD5222 Approved
0.67 Remote Similarity NPD5221 Approved
0.67 Remote Similarity NPD5220 Clinical (unspecified phase)
0.67 Remote Similarity NPD4697 Phase 3
0.6698 Remote Similarity NPD6881 Approved
0.6698 Remote Similarity NPD6899 Approved
0.6698 Remote Similarity NPD6011 Approved
0.6667 Remote Similarity NPD5331 Approved
0.6667 Remote Similarity NPD5739 Approved
0.6667 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6675 Approved
0.6667 Remote Similarity NPD5332 Approved
0.6667 Remote Similarity NPD5286 Approved
0.6667 Remote Similarity NPD6649 Approved
0.6667 Remote Similarity NPD4696 Approved
0.6667 Remote Similarity NPD5285 Approved
0.6667 Remote Similarity NPD6402 Approved
0.6667 Remote Similarity NPD6903 Approved
0.6667 Remote Similarity NPD6650 Approved
0.6667 Remote Similarity NPD7128 Approved
0.6636 Remote Similarity NPD6013 Approved
0.6636 Remote Similarity NPD6372 Approved
0.6636 Remote Similarity NPD6014 Approved
0.6636 Remote Similarity NPD6012 Approved
0.6636 Remote Similarity NPD6373 Approved
0.6634 Remote Similarity NPD5173 Approved
0.6634 Remote Similarity NPD6083 Phase 2
0.6634 Remote Similarity NPD4755 Approved
0.6634 Remote Similarity NPD6084 Phase 2
0.6632 Remote Similarity NPD3574 Clinical (unspecified phase)
0.663 Remote Similarity NPD4790 Discontinued
0.663 Remote Similarity NPD5369 Approved
0.6604 Remote Similarity NPD5701 Approved
0.6602 Remote Similarity NPD5223 Approved
0.66 Remote Similarity NPD5210 Approved
0.66 Remote Similarity NPD5695 Phase 3
0.66 Remote Similarity NPD4629 Approved
0.66 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6598 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6598 Remote Similarity NPD4753 Phase 2
0.6598 Remote Similarity NPD1695 Approved
0.6574 Remote Similarity NPD7102 Approved
0.6574 Remote Similarity NPD7290 Approved
0.6574 Remote Similarity NPD6883 Approved
0.6569 Remote Similarity NPD5696 Approved
0.6562 Remote Similarity NPD3573 Approved
0.6559 Remote Similarity NPD4223 Phase 3
0.6559 Remote Similarity NPD5209 Approved
0.6559 Remote Similarity NPD4221 Approved
0.6548 Remote Similarity NPD7331 Phase 2
0.6542 Remote Similarity NPD7320 Approved
0.6542 Remote Similarity NPD6686 Approved
0.6538 Remote Similarity NPD5224 Approved
0.6538 Remote Similarity NPD342 Phase 1
0.6538 Remote Similarity NPD5226 Approved
0.6538 Remote Similarity NPD5225 Approved
0.6538 Remote Similarity NPD4633 Approved
0.6531 Remote Similarity NPD7838 Discovery
0.6526 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6522 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6522 Remote Similarity NPD5368 Approved
0.6517 Remote Similarity NPD8264 Approved
0.6517 Remote Similarity NPD8039 Approved
0.6514 Remote Similarity NPD6847 Approved
0.6514 Remote Similarity NPD8130 Phase 1
0.6514 Remote Similarity NPD6617 Approved
0.6514 Remote Similarity NPD6869 Approved
0.6509 Remote Similarity NPD6008 Approved
0.6505 Remote Similarity NPD4700 Approved
0.6505 Remote Similarity NPD6404 Discontinued
0.65 Remote Similarity NPD6001 Approved
0.65 Remote Similarity NPD5282 Discontinued
0.6495 Remote Similarity NPD6672 Approved
0.6495 Remote Similarity NPD5737 Approved
0.6481 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6476 Remote Similarity NPD5175 Approved
0.6476 Remote Similarity NPD5174 Approved
0.6465 Remote Similarity NPD7983 Approved
0.6458 Remote Similarity NPD5690 Phase 2
0.6455 Remote Similarity NPD6882 Approved
0.6455 Remote Similarity NPD8297 Approved
0.6442 Remote Similarity NPD5344 Discontinued
0.6429 Remote Similarity NPD7341 Phase 2
0.6422 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6421 Remote Similarity NPD3668 Phase 3
0.6421 Remote Similarity NPD4197 Approved
0.6421 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6408 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6396 Remote Similarity NPD4632 Approved
0.6383 Remote Similarity NPD6435 Approved
0.6364 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6354 Remote Similarity NPD5329 Approved
0.6354 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6354 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6321 Remote Similarity NPD4754 Approved
0.6306 Remote Similarity NPD6053 Discontinued
0.6304 Remote Similarity NPD3617 Approved
0.63 Remote Similarity NPD8034 Phase 2
0.63 Remote Similarity NPD7637 Suspended
0.63 Remote Similarity NPD8035 Phase 2
0.6296 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6289 Remote Similarity NPD4693 Phase 3
0.6289 Remote Similarity NPD5205 Approved
0.6289 Remote Similarity NPD5280 Approved
0.6289 Remote Similarity NPD4694 Approved
0.6289 Remote Similarity NPD4688 Approved
0.6289 Remote Similarity NPD4690 Approved
0.6289 Remote Similarity NPD4689 Approved
0.6289 Remote Similarity NPD4138 Approved
0.6289 Remote Similarity NPD4249 Approved
0.6283 Remote Similarity NPD6274 Approved
0.6265 Remote Similarity NPD4191 Approved
0.6265 Remote Similarity NPD4192 Approved
0.6265 Remote Similarity NPD4194 Approved
0.6265 Remote Similarity NPD4193 Approved
0.6264 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6239 Remote Similarity NPD4729 Approved
0.6239 Remote Similarity NPD5128 Approved
0.6239 Remote Similarity NPD4730 Approved
0.6235 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6228 Remote Similarity NPD6009 Approved
0.6228 Remote Similarity NPD6317 Approved
0.6226 Remote Similarity NPD7632 Discontinued
0.6224 Remote Similarity NPD4250 Approved
0.6224 Remote Similarity NPD4251 Approved
0.6214 Remote Similarity NPD7614 Phase 1
0.6214 Remote Similarity NPD7839 Suspended
0.6204 Remote Similarity NPD4768 Approved
0.6204 Remote Similarity NPD4767 Approved
0.62 Remote Similarity NPD5207 Approved
0.619 Remote Similarity NPD2664 Clinical (unspecified phase)
0.619 Remote Similarity NPD6648 Approved
0.6186 Remote Similarity NPD7604 Phase 2
0.6174 Remote Similarity NPD6335 Approved
0.6174 Remote Similarity NPD6313 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3359153
ZINC  

Physicochemical Properties

Molecular Weight:  250.16
ALogP:  1.5653
MLogP:  2.78
XLogP:  2.775
# Rotatable Bonds:  9
Polar Surface Area:  57.53
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  18

Download Data

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