Natural Product: NPC474353

Natural Product ID:  NPC474353
Common Name:   Conidione
IUPAC Name:   3,3,6-trimethylspiro[3a,4,5,7a-tetrahydro-2-benzofuran-1,5'-cyclohex-2-ene]-1',4'-dione
Synonyms:   Conidione
Molecular Formula:   C16H20O3
Standard InCHIKey:  GZXIEHLFGFWNKB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C16H20O3/c1-10-4-6-12-13(8-10)16(19-15(12,2)3)9-11(17)5-7-14(16)18/h5,7-8,12-13H,4,6,9H2,1-3H3
Canonical SMILES:  CC1=CC2C(CC1)C(OC12CC(=O)C=CC1=O)(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
NPO33101 aplidium aff. densum Species Polyclinidae Eukaryota PMID[16180826]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 > 10000000 nM 21332115
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC > 2000000 nM 21332115
NPT19 Organism Escherichia coli Escherichia coli MIC > 2000000 nM 21332115

  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 NPC474353 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
0.7841 Intermediate Similarity NPC241507
0.7647 Intermediate Similarity NPC474085
0.764 Intermediate Similarity NPC269677
0.7527 Intermediate Similarity NPC31021
0.75 Intermediate Similarity NPC478246
0.75 Intermediate Similarity NPC133652
0.75 Intermediate Similarity NPC478247
0.7473 Intermediate Similarity NPC223093
0.7444 Intermediate Similarity NPC469653
0.7444 Intermediate Similarity NPC469631
0.7444 Intermediate Similarity NPC471047
0.7444 Intermediate Similarity NPC469628
0.7444 Intermediate Similarity NPC475906
0.7442 Intermediate Similarity NPC286229
0.7412 Intermediate Similarity NPC471740
0.7386 Intermediate Similarity NPC469569
0.7375 Intermediate Similarity NPC469914
0.7333 Intermediate Similarity NPC471739
0.7326 Intermediate Similarity NPC108955
0.7308 Intermediate Similarity NPC251118
0.7303 Intermediate Similarity NPC132228
0.7303 Intermediate Similarity NPC8518
0.7303 Intermediate Similarity NPC96621
0.7303 Intermediate Similarity NPC263997
0.7294 Intermediate Similarity NPC207772
0.7263 Intermediate Similarity NPC318082
0.7241 Intermediate Similarity NPC55869
0.7241 Intermediate Similarity NPC475833
0.7222 Intermediate Similarity NPC38576
0.7222 Intermediate Similarity NPC279859
0.7215 Intermediate Similarity NPC16119
0.7204 Intermediate Similarity NPC193396
0.7204 Intermediate Similarity NPC32944
0.7204 Intermediate Similarity NPC166110
0.7179 Intermediate Similarity NPC34622
0.7179 Intermediate Similarity NPC474400
0.7176 Intermediate Similarity NPC283087
0.7172 Intermediate Similarity NPC271059
0.7172 Intermediate Similarity NPC25666
0.716 Intermediate Similarity NPC256846
0.716 Intermediate Similarity NPC477449
0.716 Intermediate Similarity NPC477448
0.7159 Intermediate Similarity NPC70479
0.7143 Intermediate Similarity NPC469851
0.7143 Intermediate Similarity NPC30421
0.7143 Intermediate Similarity NPC38885
0.7128 Intermediate Similarity NPC248193
0.7125 Intermediate Similarity NPC474619
0.7111 Intermediate Similarity NPC290329
0.7111 Intermediate Similarity NPC472686
0.7111 Intermediate Similarity NPC241512
0.7111 Intermediate Similarity NPC33663
0.7111 Intermediate Similarity NPC6185
0.7093 Intermediate Similarity NPC474056
0.7093 Intermediate Similarity NPC478122
0.7089 Intermediate Similarity NPC98897
0.7065 Intermediate Similarity NPC478259
0.7065 Intermediate Similarity NPC478261
0.7065 Intermediate Similarity NPC475902
0.7065 Intermediate Similarity NPC478260
0.7059 Intermediate Similarity NPC239758
0.7059 Intermediate Similarity NPC1254
0.7059 Intermediate Similarity NPC40353
0.7053 Intermediate Similarity NPC469632
0.7051 Intermediate Similarity NPC57463
0.7051 Intermediate Similarity NPC151728
0.7045 Intermediate Similarity NPC116797
0.7045 Intermediate Similarity NPC478262
0.7045 Intermediate Similarity NPC225515
0.7037 Intermediate Similarity NPC260474
0.7037 Intermediate Similarity NPC87141
0.7037 Intermediate Similarity NPC188292
0.7033 Intermediate Similarity NPC472863
0.7033 Intermediate Similarity NPC470345
0.7024 Intermediate Similarity NPC264178
0.7021 Intermediate Similarity NPC20713
0.7021 Intermediate Similarity NPC26865
0.7011 Intermediate Similarity NPC276647
0.7011 Intermediate Similarity NPC27817
0.7011 Intermediate Similarity NPC622
0.7 Intermediate Similarity NPC197089
0.7 Intermediate Similarity NPC474330
0.7 Intermediate Similarity NPC32565
0.7 Intermediate Similarity NPC475796
0.7 Intermediate Similarity NPC120726
0.7 Intermediate Similarity NPC90446
0.7 Intermediate Similarity NPC474207
0.6989 Remote Similarity NPC142159
0.6989 Remote Similarity NPC95364
0.6989 Remote Similarity NPC305039
0.6979 Remote Similarity NPC279313
0.6977 Remote Similarity NPC180290
0.6966 Remote Similarity NPC186276
0.6966 Remote Similarity NPC470813
0.6951 Remote Similarity NPC261398
0.6951 Remote Similarity NPC199557
0.6951 Remote Similarity NPC474060
0.6951 Remote Similarity NPC262673
0.6939 Remote Similarity NPC54843
0.6932 Remote Similarity NPC476809
0.6932 Remote Similarity NPC223904
0.6932 Remote Similarity NPC304795
0.6931 Remote Similarity NPC13385
0.6923 Remote Similarity NPC125290
0.6923 Remote Similarity NPC70685
0.6923 Remote Similarity NPC469993
0.6915 Remote Similarity NPC152467
0.6915 Remote Similarity NPC280592
0.6915 Remote Similarity NPC253177
0.6915 Remote Similarity NPC213636
0.6915 Remote Similarity NPC129913
0.6907 Remote Similarity NPC476275
0.6907 Remote Similarity NPC272411
0.6907 Remote Similarity NPC472733
0.6907 Remote Similarity NPC472734
0.6905 Remote Similarity NPC472956
0.69 Remote Similarity NPC308351
0.69 Remote Similarity NPC271266
0.6897 Remote Similarity NPC189485
0.6897 Remote Similarity NPC74410
0.6897 Remote Similarity NPC23778
0.6897 Remote Similarity NPC275494
0.6897 Remote Similarity NPC471409
0.6897 Remote Similarity NPC469996
0.6889 Remote Similarity NPC39588
0.6882 Remote Similarity NPC215831
0.6882 Remote Similarity NPC58271
0.6875 Remote Similarity NPC61473
0.6875 Remote Similarity NPC148463
0.6869 Remote Similarity NPC46761
0.6869 Remote Similarity NPC174314
0.6867 Remote Similarity NPC291062
0.6867 Remote Similarity NPC94743
0.6863 Remote Similarity NPC469852
0.6863 Remote Similarity NPC470267
0.686 Remote Similarity NPC76966
0.686 Remote Similarity NPC472967
0.686 Remote Similarity NPC110725
0.686 Remote Similarity NPC26504
0.686 Remote Similarity NPC470525
0.686 Remote Similarity NPC186554
0.686 Remote Similarity NPC472959
0.686 Remote Similarity NPC266159
0.686 Remote Similarity NPC92080
0.6854 Remote Similarity NPC44963
0.6854 Remote Similarity NPC99308
0.6854 Remote Similarity NPC275766
0.6854 Remote Similarity NPC189237
0.6854 Remote Similarity NPC119229
0.6854 Remote Similarity NPC149237
0.6854 Remote Similarity NPC472684
0.6848 Remote Similarity NPC220478
0.6848 Remote Similarity NPC70555
0.6848 Remote Similarity NPC194417
0.6848 Remote Similarity NPC70422
0.6848 Remote Similarity NPC104961
0.6848 Remote Similarity NPC203795
0.6848 Remote Similarity NPC470346
0.6848 Remote Similarity NPC261721
0.6842 Remote Similarity NPC74103
0.6842 Remote Similarity NPC111114
0.6842 Remote Similarity NPC45579
0.6842 Remote Similarity NPC123177
0.6842 Remote Similarity NPC218301
0.6842 Remote Similarity NPC150978
0.6842 Remote Similarity NPC144629
0.6842 Remote Similarity NPC471329
0.6842 Remote Similarity NPC300312
0.6842 Remote Similarity NPC172101
0.6842 Remote Similarity NPC261607
0.6842 Remote Similarity NPC296114
0.6842 Remote Similarity NPC70595
0.6837 Remote Similarity NPC472731
0.6837 Remote Similarity NPC472732
0.6837 Remote Similarity NPC27105
0.6835 Remote Similarity NPC477830
0.6835 Remote Similarity NPC288253
0.6832 Remote Similarity NPC475873
0.6832 Remote Similarity NPC131366
0.6832 Remote Similarity NPC230918
0.6832 Remote Similarity NPC470954
0.6829 Remote Similarity NPC476614
0.6829 Remote Similarity NPC134385
0.6827 Remote Similarity NPC250018
0.6827 Remote Similarity NPC220705
0.6824 Remote Similarity NPC167049
0.6824 Remote Similarity NPC469691
0.6824 Remote Similarity NPC122244
0.6818 Remote Similarity NPC476177
0.6818 Remote Similarity NPC469617
0.6813 Remote Similarity NPC469884
0.6813 Remote Similarity NPC144258
0.6809 Remote Similarity NPC280833
0.6809 Remote Similarity NPC473039
0.6809 Remote Similarity NPC173042
0.6809 Remote Similarity NPC73995
0.6804 Remote Similarity NPC474490
0.6804 Remote Similarity NPC91408
0.68 Remote Similarity NPC270155
0.68 Remote Similarity NPC128733

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474353 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
0.7222 Intermediate Similarity NPD5690 Phase 2
0.7215 Intermediate Similarity NPD7331 Phase 2
0.7215 Intermediate Similarity NPD6108 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD5694 Approved
0.7143 Intermediate Similarity NPD3573 Approved
0.7097 Intermediate Similarity NPD5692 Phase 3
0.7021 Intermediate Similarity NPD6050 Approved
0.6989 Remote Similarity NPD6080 Approved
0.6989 Remote Similarity NPD6904 Approved
0.6989 Remote Similarity NPD6673 Approved
0.6932 Remote Similarity NPD4695 Discontinued
0.6915 Remote Similarity NPD5207 Approved
0.6882 Remote Similarity NPD5737 Approved
0.6882 Remote Similarity NPD6672 Approved
0.6875 Remote Similarity NPD5282 Discontinued
0.6875 Remote Similarity NPD7341 Phase 2
0.6848 Remote Similarity NPD6098 Approved
0.6848 Remote Similarity NPD4694 Approved
0.6848 Remote Similarity NPD5280 Approved
0.6842 Remote Similarity NPD5693 Phase 1
0.6813 Remote Similarity NPD4197 Approved
0.6804 Remote Similarity NPD5695 Phase 3
0.6739 Remote Similarity NPD1694 Approved
0.6739 Remote Similarity NPD5329 Approved
0.6667 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4691 Approved
0.6635 Remote Similarity NPD5697 Approved
0.6633 Remote Similarity NPD5654 Approved
0.6632 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6632 Remote Similarity NPD6101 Approved
0.6628 Remote Similarity NPD4687 Approved
0.6628 Remote Similarity NPD4058 Approved
0.6625 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6593 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6593 Remote Similarity NPD4223 Phase 3
0.6593 Remote Similarity NPD4221 Approved
0.6571 Remote Similarity NPD6899 Approved
0.6571 Remote Similarity NPD6011 Approved
0.6571 Remote Similarity NPD6881 Approved
0.6566 Remote Similarity NPD5222 Approved
0.6566 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6566 Remote Similarity NPD5221 Approved
0.6548 Remote Similarity NPD4137 Phase 3
0.6542 Remote Similarity NPD6650 Approved
0.6542 Remote Similarity NPD6649 Approved
0.6535 Remote Similarity NPD4696 Approved
0.6535 Remote Similarity NPD5286 Approved
0.6535 Remote Similarity NPD5285 Approved
0.6526 Remote Similarity NPD4518 Approved
0.6526 Remote Similarity NPD5208 Approved
0.6517 Remote Similarity NPD3617 Approved
0.6509 Remote Similarity NPD6013 Approved
0.6509 Remote Similarity NPD6014 Approved
0.6509 Remote Similarity NPD6012 Approved
0.65 Remote Similarity NPD5959 Approved
0.65 Remote Similarity NPD6083 Phase 2
0.65 Remote Similarity NPD5173 Approved
0.65 Remote Similarity NPD6084 Phase 2
0.6495 Remote Similarity NPD6079 Approved
0.6495 Remote Similarity NPD6411 Approved
0.6489 Remote Similarity NPD7521 Approved
0.6489 Remote Similarity NPD5279 Phase 3
0.6489 Remote Similarity NPD4519 Discontinued
0.6489 Remote Similarity NPD7334 Approved
0.6489 Remote Similarity NPD7146 Approved
0.6489 Remote Similarity NPD5330 Approved
0.6489 Remote Similarity NPD6409 Approved
0.6489 Remote Similarity NPD4623 Approved
0.6489 Remote Similarity NPD6684 Approved
0.6471 Remote Similarity NPD5223 Approved
0.6471 Remote Similarity NPD4747 Approved
0.6465 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6465 Remote Similarity NPD4629 Approved
0.6465 Remote Similarity NPD5210 Approved
0.6458 Remote Similarity NPD4753 Phase 2
0.6449 Remote Similarity NPD6883 Approved
0.6449 Remote Similarity NPD7290 Approved
0.6449 Remote Similarity NPD7102 Approved
0.6437 Remote Similarity NPD5733 Approved
0.6436 Remote Similarity NPD5696 Approved
0.6429 Remote Similarity NPD5779 Approved
0.6429 Remote Similarity NPD5778 Approved
0.6408 Remote Similarity NPD5224 Approved
0.6408 Remote Similarity NPD4633 Approved
0.6408 Remote Similarity NPD5211 Phase 2
0.6408 Remote Similarity NPD5225 Approved
0.6408 Remote Similarity NPD5226 Approved
0.64 Remote Similarity NPD4697 Phase 3
0.6395 Remote Similarity NPD5276 Approved
0.6389 Remote Similarity NPD8130 Phase 1
0.6389 Remote Similarity NPD6617 Approved
0.6389 Remote Similarity NPD6869 Approved
0.6389 Remote Similarity NPD6847 Approved
0.6381 Remote Similarity NPD6402 Approved
0.6381 Remote Similarity NPD5739 Approved
0.6381 Remote Similarity NPD6675 Approved
0.6381 Remote Similarity NPD7128 Approved
0.6372 Remote Similarity NPD6054 Approved
0.6364 Remote Similarity NPD6001 Approved
0.6355 Remote Similarity NPD6372 Approved
0.6355 Remote Similarity NPD6373 Approved
0.6354 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6354 Remote Similarity NPD6903 Approved
0.6346 Remote Similarity NPD5175 Approved
0.6346 Remote Similarity NPD5174 Approved
0.6337 Remote Similarity NPD4755 Approved
0.633 Remote Similarity NPD8297 Approved
0.633 Remote Similarity NPD6882 Approved
0.6327 Remote Similarity NPD5284 Approved
0.6327 Remote Similarity NPD5281 Approved
0.6321 Remote Similarity NPD5701 Approved
0.6321 Remote Similarity NPD6614 Approved
0.6316 Remote Similarity NPD4688 Approved
0.6316 Remote Similarity NPD6015 Approved
0.6316 Remote Similarity NPD4693 Phase 3
0.6316 Remote Similarity NPD4689 Approved
0.6316 Remote Similarity NPD4690 Approved
0.6316 Remote Similarity NPD5205 Approved
0.6316 Remote Similarity NPD6016 Approved
0.6316 Remote Similarity NPD4138 Approved
0.6316 Remote Similarity NPD5786 Approved
0.6304 Remote Similarity NPD5369 Approved
0.63 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6296 Remote Similarity NPD4634 Approved
0.6289 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6289 Remote Similarity NPD5328 Approved
0.6286 Remote Similarity NPD5141 Approved
0.6277 Remote Similarity NPD3133 Approved
0.6277 Remote Similarity NPD3666 Approved
0.6277 Remote Similarity NPD3665 Phase 1
0.6264 Remote Similarity NPD4195 Approved
0.6263 Remote Similarity NPD5133 Approved
0.6262 Remote Similarity NPD7320 Approved
0.6261 Remote Similarity NPD5988 Approved
0.6261 Remote Similarity NPD6370 Approved
0.6237 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6237 Remote Similarity NPD3667 Approved
0.6228 Remote Similarity NPD6319 Approved
0.6226 Remote Similarity NPD6008 Approved
0.6222 Remote Similarity NPD4756 Discovery
0.6214 Remote Similarity NPD4700 Approved
0.6211 Remote Similarity NPD5363 Approved
0.6211 Remote Similarity NPD1696 Phase 3
0.6211 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6196 Remote Similarity NPD8259 Clinical (unspecified phase)
0.619 Remote Similarity NPD3704 Approved
0.617 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7492 Approved
0.6146 Remote Similarity NPD3618 Phase 1
0.6111 Remote Similarity NPD4729 Approved
0.6111 Remote Similarity NPD4730 Approved
0.6106 Remote Similarity NPD6317 Approved
0.6105 Remote Similarity NPD4786 Approved
0.6105 Remote Similarity NPD3668 Phase 3
0.6102 Remote Similarity NPD6616 Approved
0.61 Remote Similarity NPD6399 Phase 3
0.6095 Remote Similarity NPD5091 Approved
0.6091 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6087 Remote Similarity NPD6059 Approved
0.6064 Remote Similarity NPD6435 Approved
0.6064 Remote Similarity NPD5209 Approved
0.6061 Remote Similarity NPD4096 Approved
0.6061 Remote Similarity NPD5785 Approved
0.6053 Remote Similarity NPD6335 Approved
0.6053 Remote Similarity NPD6314 Approved
0.6053 Remote Similarity NPD6313 Approved
0.605 Remote Similarity NPD7078 Approved
0.6047 Remote Similarity NPD3621 Clinical (unspecified phase)
0.604 Remote Similarity NPD7900 Approved
0.604 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6038 Remote Similarity NPD4754 Approved
0.6018 Remote Similarity NPD6274 Approved
0.6018 Remote Similarity NPD6868 Approved
0.6 Remote Similarity NPD7100 Approved
0.6 Remote Similarity NPD5135 Approved
0.6 Remote Similarity NPD5250 Approved
0.6 Remote Similarity NPD7101 Approved
0.6 Remote Similarity NPD5249 Phase 3
0.6 Remote Similarity NPD7736 Approved
0.6 Remote Similarity NPD5248 Approved
0.6 Remote Similarity NPD5169 Approved
0.6 Remote Similarity NPD5251 Approved
0.6 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6 Remote Similarity NPD5247 Approved
0.5982 Remote Similarity NPD4632 Approved
0.5965 Remote Similarity NPD6009 Approved
0.5963 Remote Similarity NPD5168 Approved
0.5963 Remote Similarity NPD5128 Approved
0.5957 Remote Similarity NPD4692 Approved
0.5957 Remote Similarity NPD4139 Approved
0.5946 Remote Similarity NPD5217 Approved
0.5946 Remote Similarity NPD5215 Approved
0.5946 Remote Similarity NPD5127 Approved
0.5946 Remote Similarity NPD5216 Approved
0.5941 Remote Similarity NPD4202 Approved
0.5926 Remote Similarity NPD287 Approved
0.5926 Remote Similarity NPD4768 Approved
0.5926 Remote Similarity NPD4767 Approved
0.5922 Remote Similarity NPD7732 Phase 3
0.5897 Remote Similarity NPD6291 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   22297512
ChEMBL   CHEMBL465568
ZINC  

Physicochemical Properties

Molecular Weight:  260.14
ALogP:  0.8085
MLogP:  2.89
XLogP:  1.317
# Rotatable Bonds:  3
Polar Surface Area:  43.37
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  19

Download Data

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