Natural Product: NPC62214

Natural Product ID:  NPC62214
Common Name:   Enokipodin D
IUPAC Name:   2-[(1S,5R)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-5-methylcyclohexa-2,5-diene-1,4-dione
Synonyms:   Enokipodin D
Molecular Formula:   C15H18O4
Standard InCHIKey:  DBTMIHPJDPGOCQ-HIFRSBDPSA-N
Standard InCHI:  InChI=1S/C15H18O4/c1-8-5-11(17)9(6-10(8)16)15(4)13(19)7-12(18)14(15,2)3/h5-6,13,19H,7H2,1-4H3/t13-,15+/m1/s1
Canonical SMILES:  O=C1C=C(C)C(=O)C=C1[C@@]1(C)[C@H](O)CC(=O)C1(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
NPO3973 Flammulina velutipes Species Physalacriaceae Eukaryota PMID[11473426]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 0 mm 23647825
NPT19 Organism Escherichia coli Escherichia coli IZ = 0 mm 23647825
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 11 mm 22001028
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 11.6 mm 22001028
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 16 mm 22001028
NPT19 Organism Escherichia coli Escherichia coli IZ = 0 mm 19734910

  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 NPC62214 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
0.8415 Intermediate Similarity NPC45495
0.8293 Intermediate Similarity NPC7232
0.8235 Intermediate Similarity NPC230527
0.8235 Intermediate Similarity NPC7927
0.8095 Intermediate Similarity NPC136150
0.8072 Intermediate Similarity NPC164308
0.8065 Intermediate Similarity NPC147954
0.8049 Intermediate Similarity NPC276769
0.8023 Intermediate Similarity NPC329043
0.8023 Intermediate Similarity NPC321187
0.8023 Intermediate Similarity NPC58841
0.8023 Intermediate Similarity NPC227064
0.8023 Intermediate Similarity NPC161423
0.7978 Intermediate Similarity NPC477943
0.7976 Intermediate Similarity NPC164218
0.7931 Intermediate Similarity NPC179006
0.7931 Intermediate Similarity NPC474853
0.7931 Intermediate Similarity NPC36350
0.7927 Intermediate Similarity NPC470525
0.7912 Intermediate Similarity NPC233118
0.7907 Intermediate Similarity NPC474748
0.7865 Intermediate Similarity NPC474854
0.7865 Intermediate Similarity NPC328313
0.7841 Intermediate Similarity NPC183736
0.7816 Intermediate Similarity NPC475796
0.7805 Intermediate Similarity NPC77501
0.7805 Intermediate Similarity NPC114236
0.7805 Intermediate Similarity NPC251435
0.7791 Intermediate Similarity NPC477269
0.7791 Intermediate Similarity NPC477270
0.7791 Intermediate Similarity NPC129080
0.7791 Intermediate Similarity NPC477271
0.7778 Intermediate Similarity NPC170775
0.7753 Intermediate Similarity NPC472482
0.7753 Intermediate Similarity NPC472481
0.7753 Intermediate Similarity NPC472484
0.7738 Intermediate Similarity NPC475994
0.7738 Intermediate Similarity NPC178852
0.7727 Intermediate Similarity NPC474218
0.7717 Intermediate Similarity NPC474807
0.7717 Intermediate Similarity NPC250575
0.7717 Intermediate Similarity NPC125180
0.7711 Intermediate Similarity NPC469646
0.7692 Intermediate Similarity NPC477711
0.7692 Intermediate Similarity NPC2946
0.7674 Intermediate Similarity NPC116797
0.7654 Intermediate Similarity NPC144627
0.7647 Intermediate Similarity NPC181195
0.7647 Intermediate Similarity NPC261125
0.7647 Intermediate Similarity NPC229204
0.764 Intermediate Similarity NPC474732
0.764 Intermediate Similarity NPC327115
0.764 Intermediate Similarity NPC194417
0.764 Intermediate Similarity NPC474778
0.764 Intermediate Similarity NPC474733
0.764 Intermediate Similarity NPC145879
0.764 Intermediate Similarity NPC31564
0.7634 Intermediate Similarity NPC298919
0.7619 Intermediate Similarity NPC197659
0.7619 Intermediate Similarity NPC211279
0.7614 Intermediate Similarity NPC473246
0.7614 Intermediate Similarity NPC82902
0.7614 Intermediate Similarity NPC85774
0.7614 Intermediate Similarity NPC214043
0.7604 Intermediate Similarity NPC110149
0.7586 Intermediate Similarity NPC7414
0.7586 Intermediate Similarity NPC151519
0.7582 Intermediate Similarity NPC123912
0.7582 Intermediate Similarity NPC41217
0.7582 Intermediate Similarity NPC472477
0.7582 Intermediate Similarity NPC31985
0.7582 Intermediate Similarity NPC472475
0.7582 Intermediate Similarity NPC326627
0.7582 Intermediate Similarity NPC119416
0.7582 Intermediate Similarity NPC1015
0.7582 Intermediate Similarity NPC310010
0.7558 Intermediate Similarity NPC172013
0.7558 Intermediate Similarity NPC279667
0.7556 Intermediate Similarity NPC475740
0.7556 Intermediate Similarity NPC136548
0.7556 Intermediate Similarity NPC58063
0.7556 Intermediate Similarity NPC312215
0.7556 Intermediate Similarity NPC317590
0.7553 Intermediate Similarity NPC472485
0.7553 Intermediate Similarity NPC241156
0.7553 Intermediate Similarity NPC263347
0.7553 Intermediate Similarity NPC472932
0.7532 Intermediate Similarity NPC32285
0.7529 Intermediate Similarity NPC62336
0.7529 Intermediate Similarity NPC321180
0.7528 Intermediate Similarity NPC79573
0.7528 Intermediate Similarity NPC470574
0.7528 Intermediate Similarity NPC469948
0.7527 Intermediate Similarity NPC109414
0.75 Intermediate Similarity NPC166745
0.75 Intermediate Similarity NPC263582
0.75 Intermediate Similarity NPC476082
0.75 Intermediate Similarity NPC185
0.75 Intermediate Similarity NPC215481
0.75 Intermediate Similarity NPC235464
0.75 Intermediate Similarity NPC278648
0.75 Intermediate Similarity NPC197386
0.7474 Intermediate Similarity NPC125622
0.7474 Intermediate Similarity NPC472941
0.7474 Intermediate Similarity NPC456
0.7473 Intermediate Similarity NPC471724
0.7473 Intermediate Similarity NPC471722
0.7473 Intermediate Similarity NPC477710
0.7473 Intermediate Similarity NPC472483
0.7473 Intermediate Similarity NPC294480
0.7473 Intermediate Similarity NPC48866
0.7473 Intermediate Similarity NPC247406
0.7471 Intermediate Similarity NPC47031
0.7471 Intermediate Similarity NPC6434
0.7471 Intermediate Similarity NPC14151
0.7449 Intermediate Similarity NPC87351
0.7447 Intermediate Similarity NPC111015
0.7447 Intermediate Similarity NPC53685
0.7444 Intermediate Similarity NPC20688
0.7444 Intermediate Similarity NPC472491
0.7444 Intermediate Similarity NPC118648
0.7444 Intermediate Similarity NPC232156
0.7444 Intermediate Similarity NPC222613
0.7444 Intermediate Similarity NPC475022
0.7444 Intermediate Similarity NPC472494
0.7444 Intermediate Similarity NPC469994
0.7444 Intermediate Similarity NPC212843
0.7442 Intermediate Similarity NPC308038
0.7442 Intermediate Similarity NPC19900
0.7423 Intermediate Similarity NPC474720
0.7423 Intermediate Similarity NPC287833
0.7419 Intermediate Similarity NPC154101
0.7419 Intermediate Similarity NPC19114
0.7416 Intermediate Similarity NPC59453
0.7416 Intermediate Similarity NPC472480
0.7416 Intermediate Similarity NPC472265
0.7416 Intermediate Similarity NPC237712
0.7416 Intermediate Similarity NPC221758
0.7416 Intermediate Similarity NPC472326
0.7407 Intermediate Similarity NPC250928
0.7407 Intermediate Similarity NPC10758
0.7396 Intermediate Similarity NPC477268
0.7396 Intermediate Similarity NPC472690
0.7396 Intermediate Similarity NPC472073
0.7396 Intermediate Similarity NPC472074
0.7396 Intermediate Similarity NPC473161
0.7396 Intermediate Similarity NPC472689
0.7396 Intermediate Similarity NPC477267
0.7391 Intermediate Similarity NPC472489
0.7391 Intermediate Similarity NPC268406
0.7391 Intermediate Similarity NPC186688
0.7391 Intermediate Similarity NPC26959
0.7391 Intermediate Similarity NPC54689
0.7391 Intermediate Similarity NPC472970
0.7391 Intermediate Similarity NPC76879
0.7391 Intermediate Similarity NPC472971
0.7386 Intermediate Similarity NPC212083
0.7386 Intermediate Similarity NPC38796
0.7386 Intermediate Similarity NPC158411
0.7386 Intermediate Similarity NPC193347
0.7386 Intermediate Similarity NPC103486
0.7381 Intermediate Similarity NPC216791
0.7381 Intermediate Similarity NPC474011
0.7374 Intermediate Similarity NPC111323
0.7374 Intermediate Similarity NPC311612
0.7368 Intermediate Similarity NPC469599
0.7368 Intermediate Similarity NPC476487
0.7368 Intermediate Similarity NPC476488
0.7363 Intermediate Similarity NPC470523
0.7363 Intermediate Similarity NPC287079
0.7363 Intermediate Similarity NPC93778
0.7363 Intermediate Similarity NPC96496
0.7363 Intermediate Similarity NPC99909
0.7356 Intermediate Similarity NPC104120
0.7356 Intermediate Similarity NPC2482
0.7356 Intermediate Similarity NPC148685
0.7356 Intermediate Similarity NPC115418
0.7356 Intermediate Similarity NPC472478
0.7356 Intermediate Similarity NPC157895
0.7349 Intermediate Similarity NPC275098
0.7342 Intermediate Similarity NPC474304
0.7342 Intermediate Similarity NPC474329
0.734 Intermediate Similarity NPC472942
0.734 Intermediate Similarity NPC82138
0.734 Intermediate Similarity NPC474736
0.734 Intermediate Similarity NPC152897
0.734 Intermediate Similarity NPC25750
0.734 Intermediate Similarity NPC109305
0.734 Intermediate Similarity NPC66429
0.734 Intermediate Similarity NPC134826
0.7333 Intermediate Similarity NPC102292
0.7333 Intermediate Similarity NPC197823
0.7333 Intermediate Similarity NPC142649
0.7333 Intermediate Similarity NPC202868
0.7327 Intermediate Similarity NPC43285
0.7327 Intermediate Similarity NPC58370
0.7326 Intermediate Similarity NPC478122
0.732 Intermediate Similarity NPC153776
0.732 Intermediate Similarity NPC472730
0.732 Intermediate Similarity NPC472729

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC62214 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
0.8023 Intermediate Similarity NPD3133 Approved
0.8023 Intermediate Similarity NPD3665 Phase 1
0.8023 Intermediate Similarity NPD3666 Approved
0.7935 Intermediate Similarity NPD5210 Approved
0.7935 Intermediate Similarity NPD4629 Approved
0.7931 Intermediate Similarity NPD5363 Approved
0.7889 Intermediate Similarity NPD5785 Approved
0.7674 Intermediate Similarity NPD5369 Approved
0.764 Intermediate Similarity NPD3618 Phase 1
0.764 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD4270 Approved
0.7586 Intermediate Similarity NPD4269 Approved
0.7586 Intermediate Similarity NPD3667 Approved
0.7582 Intermediate Similarity NPD4753 Phase 2
0.7444 Intermediate Similarity NPD5279 Phase 3
0.7416 Intermediate Similarity NPD4786 Approved
0.7386 Intermediate Similarity NPD4221 Approved
0.7386 Intermediate Similarity NPD4223 Phase 3
0.7356 Intermediate Similarity NPD4252 Approved
0.734 Intermediate Similarity NPD4202 Approved
0.732 Intermediate Similarity NPD5696 Approved
0.7253 Intermediate Similarity NPD5690 Phase 2
0.7253 Intermediate Similarity NPD5786 Approved
0.7245 Intermediate Similarity NPD5285 Approved
0.7245 Intermediate Similarity NPD5286 Approved
0.7245 Intermediate Similarity NPD4696 Approved
0.7234 Intermediate Similarity NPD6079 Approved
0.7222 Intermediate Similarity NPD4197 Approved
0.7216 Intermediate Similarity NPD4755 Approved
0.7204 Intermediate Similarity NPD5328 Approved
0.7188 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD5223 Approved
0.7159 Intermediate Similarity NPD4695 Discontinued
0.7143 Intermediate Similarity NPD5329 Approved
0.7113 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD5221 Approved
0.7113 Intermediate Similarity NPD5222 Approved
0.7113 Intermediate Similarity NPD4697 Phase 3
0.71 Intermediate Similarity NPD4633 Approved
0.71 Intermediate Similarity NPD5225 Approved
0.71 Intermediate Similarity NPD5226 Approved
0.71 Intermediate Similarity NPD5224 Approved
0.71 Intermediate Similarity NPD5211 Phase 2
0.7097 Intermediate Similarity NPD4518 Approved
0.7083 Intermediate Similarity NPD5282 Discontinued
0.7071 Intermediate Similarity NPD4700 Approved
0.7065 Intermediate Similarity NPD4138 Approved
0.7065 Intermediate Similarity NPD4689 Approved
0.7065 Intermediate Similarity NPD6409 Approved
0.7065 Intermediate Similarity NPD6684 Approved
0.7065 Intermediate Similarity NPD5205 Approved
0.7065 Intermediate Similarity NPD5330 Approved
0.7065 Intermediate Similarity NPD7521 Approved
0.7065 Intermediate Similarity NPD7146 Approved
0.7065 Intermediate Similarity NPD7334 Approved
0.7065 Intermediate Similarity NPD5280 Approved
0.7065 Intermediate Similarity NPD4694 Approved
0.7065 Intermediate Similarity NPD4690 Approved
0.7065 Intermediate Similarity NPD4693 Phase 3
0.7065 Intermediate Similarity NPD4688 Approved
0.7053 Intermediate Similarity NPD5281 Approved
0.7053 Intermediate Similarity NPD5284 Approved
0.7041 Intermediate Similarity NPD6083 Phase 2
0.7041 Intermediate Similarity NPD6084 Phase 2
0.7041 Intermediate Similarity NPD5173 Approved
0.7033 Intermediate Similarity NPD3668 Phase 3
0.703 Intermediate Similarity NPD5175 Approved
0.703 Intermediate Similarity NPD5174 Approved
0.701 Intermediate Similarity NPD5695 Phase 3
0.6979 Remote Similarity NPD6399 Phase 3
0.6966 Remote Similarity NPD5368 Approved
0.6961 Remote Similarity NPD5141 Approved
0.6952 Remote Similarity NPD4634 Approved
0.6932 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6931 Remote Similarity NPD5091 Approved
0.6923 Remote Similarity NPD5362 Discontinued
0.6923 Remote Similarity NPD4788 Approved
0.6915 Remote Similarity NPD6903 Approved
0.6915 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6897 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6863 Remote Similarity NPD4754 Approved
0.6854 Remote Similarity NPD4195 Approved
0.6829 Remote Similarity NPD7331 Phase 2
0.6827 Remote Similarity NPD5697 Approved
0.6813 Remote Similarity NPD6435 Approved
0.6778 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6771 Remote Similarity NPD4096 Approved
0.6762 Remote Similarity NPD6011 Approved
0.6762 Remote Similarity NPD6899 Approved
0.6762 Remote Similarity NPD4729 Approved
0.6762 Remote Similarity NPD4730 Approved
0.6762 Remote Similarity NPD6881 Approved
0.6762 Remote Similarity NPD5128 Approved
0.6742 Remote Similarity NPD3617 Approved
0.6731 Remote Similarity NPD5739 Approved
0.6731 Remote Similarity NPD4768 Approved
0.6731 Remote Similarity NPD6402 Approved
0.6731 Remote Similarity NPD4767 Approved
0.6731 Remote Similarity NPD7128 Approved
0.6731 Remote Similarity NPD6675 Approved
0.6729 Remote Similarity NPD6649 Approved
0.6729 Remote Similarity NPD6650 Approved
0.6701 Remote Similarity NPD6411 Approved
0.6701 Remote Similarity NPD7515 Phase 2
0.6698 Remote Similarity NPD6372 Approved
0.6698 Remote Similarity NPD6013 Approved
0.6698 Remote Similarity NPD6014 Approved
0.6698 Remote Similarity NPD6373 Approved
0.6698 Remote Similarity NPD6012 Approved
0.6667 Remote Similarity NPD6412 Phase 2
0.6667 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5701 Approved
0.6636 Remote Similarity NPD7102 Approved
0.6636 Remote Similarity NPD5135 Approved
0.6636 Remote Similarity NPD5247 Approved
0.6636 Remote Similarity NPD5250 Approved
0.6636 Remote Similarity NPD5248 Approved
0.6636 Remote Similarity NPD5169 Approved
0.6636 Remote Similarity NPD7290 Approved
0.6636 Remote Similarity NPD5251 Approved
0.6636 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6636 Remote Similarity NPD6883 Approved
0.6636 Remote Similarity NPD6371 Approved
0.6636 Remote Similarity NPD5249 Phase 3
0.6604 Remote Similarity NPD7320 Approved
0.6596 Remote Similarity NPD1696 Phase 3
0.6596 Remote Similarity NPD1694 Approved
0.6593 Remote Similarity NPD4822 Approved
0.6593 Remote Similarity NPD4819 Approved
0.6593 Remote Similarity NPD4821 Approved
0.6593 Remote Similarity NPD4820 Approved
0.6577 Remote Similarity NPD7115 Discovery
0.6574 Remote Similarity NPD8130 Phase 1
0.6574 Remote Similarity NPD5215 Approved
0.6574 Remote Similarity NPD6847 Approved
0.6574 Remote Similarity NPD6869 Approved
0.6574 Remote Similarity NPD5217 Approved
0.6574 Remote Similarity NPD5127 Approved
0.6574 Remote Similarity NPD6617 Approved
0.6574 Remote Similarity NPD5216 Approved
0.6562 Remote Similarity NPD6672 Approved
0.6562 Remote Similarity NPD5737 Approved
0.6559 Remote Similarity NPD5332 Approved
0.6559 Remote Similarity NPD5331 Approved
0.6556 Remote Similarity NPD4271 Approved
0.6556 Remote Similarity NPD4268 Approved
0.6522 Remote Similarity NPD4139 Approved
0.6522 Remote Similarity NPD4790 Discontinued
0.6522 Remote Similarity NPD4692 Approved
0.6514 Remote Similarity NPD6882 Approved
0.6514 Remote Similarity NPD8297 Approved
0.6512 Remote Similarity NPD4691 Approved
0.6506 Remote Similarity NPD7341 Phase 2
0.65 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6495 Remote Similarity NPD6673 Approved
0.6495 Remote Similarity NPD6080 Approved
0.6495 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6495 Remote Similarity NPD6904 Approved
0.6495 Remote Similarity NPD6101 Approved
0.6477 Remote Similarity NPD6926 Approved
0.6477 Remote Similarity NPD6924 Approved
0.6471 Remote Similarity NPD4225 Approved
0.6465 Remote Similarity NPD5133 Approved
0.646 Remote Similarity NPD4522 Approved
0.6455 Remote Similarity NPD4632 Approved
0.6449 Remote Similarity NPD5168 Approved
0.6429 Remote Similarity NPD5207 Approved
0.6429 Remote Similarity NPD5692 Phase 3
0.6429 Remote Similarity NPD3704 Approved
0.6422 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6415 Remote Similarity NPD6008 Approved
0.6413 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6404 Remote Similarity NPD6942 Approved
0.6404 Remote Similarity NPD6319 Approved
0.6404 Remote Similarity NPD7339 Approved
0.6404 Remote Similarity NPD6054 Approved
0.64 Remote Similarity NPD7748 Approved
0.6396 Remote Similarity NPD5167 Approved
0.6395 Remote Similarity NPD4137 Phase 3
0.6392 Remote Similarity NPD5208 Approved
0.6383 Remote Similarity NPD7154 Phase 3
0.6373 Remote Similarity NPD7902 Approved
0.6364 Remote Similarity NPD6050 Approved
0.6364 Remote Similarity NPD5693 Phase 1
0.6364 Remote Similarity NPD5694 Approved
0.6355 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6354 Remote Similarity NPD4623 Approved
0.6354 Remote Similarity NPD4519 Discontinued
0.6348 Remote Similarity NPD6015 Approved
0.6348 Remote Similarity NPD6016 Approved
0.6339 Remote Similarity NPD6274 Approved
0.6333 Remote Similarity NPD6933 Approved
0.6322 Remote Similarity NPD4747 Approved
0.6311 Remote Similarity NPD7638 Approved
0.63 Remote Similarity NPD5778 Approved
0.63 Remote Similarity NPD5779 Approved
0.6293 Remote Similarity NPD6370 Approved
0.6293 Remote Similarity NPD5988 Approved
0.6292 Remote Similarity NPD4058 Approved
0.6283 Remote Similarity NPD6317 Approved

Structure

External Identifiers

PubChem CID   10901419
ChEMBL   CHEMBL470896
ZINC  

Physicochemical Properties

Molecular Weight:  262.12
ALogP:  0.8921
MLogP:  2.67
XLogP:  -0.718
# Rotatable Bonds:  6
Polar Surface Area:  71.44
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  19

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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