Natural Product: NPC317796

Natural Product ID:  NPC317796
Common Name:   Coenzyme Q1
IUPAC Name:   2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
Synonyms:   Ubiquinone-1
Molecular Formula:   C14H18O4
Standard InCHIKey:  SOECUQMRSRVZQQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3
Canonical SMILES:  COC1=C(OC)C(=O)C(=C(C1=O)CC=C(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
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[10609336]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT489 Organism Coptotermes formosanus Coptotermes formosanus Activity = 98.5 ug 18461966
NPT489 Organism Coptotermes formosanus Coptotermes formosanus Activity = 77.3 ug 18461966
NPT489 Organism Coptotermes formosanus Coptotermes formosanus Activity = 98.1 ug 18461966
NPT489 Organism Coptotermes formosanus Coptotermes formosanus Activity = 101.6 ug 18461966
NPT489 Organism Coptotermes formosanus Coptotermes formosanus Activity = 95.8 ug 18461966
NPT489 Organism Coptotermes formosanus Coptotermes formosanus Activity = 16.9 ug 18461966

  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 NPC317796 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
0.9434 High Similarity NPC299369
0.9434 High Similarity NPC200831
0.9434 High Similarity NPC224103
0.9412 High Similarity NPC474805
0.902 High Similarity NPC22329
0.8824 High Similarity NPC220191
0.8571 High Similarity NPC139056
0.8519 High Similarity NPC129710
0.8421 Intermediate Similarity NPC473494
0.8305 Intermediate Similarity NPC57463
0.8305 Intermediate Similarity NPC151728
0.8167 Intermediate Similarity NPC474400
0.8167 Intermediate Similarity NPC34622
0.8148 Intermediate Similarity NPC137396
0.8065 Intermediate Similarity NPC474619
0.8033 Intermediate Similarity NPC98897
0.7903 Intermediate Similarity NPC16119
0.7843 Intermediate Similarity NPC106547
0.7812 Intermediate Similarity NPC262673
0.7778 Intermediate Similarity NPC243272
0.7692 Intermediate Similarity NPC94743
0.7692 Intermediate Similarity NPC291062
0.7692 Intermediate Similarity NPC110396
0.7679 Intermediate Similarity NPC168521
0.7656 Intermediate Similarity NPC146376
0.7656 Intermediate Similarity NPC263382
0.7656 Intermediate Similarity NPC125578
0.7656 Intermediate Similarity NPC134385
0.7576 Intermediate Similarity NPC474539
0.7538 Intermediate Similarity NPC94488
0.75 Intermediate Similarity NPC298249
0.75 Intermediate Similarity NPC251429
0.75 Intermediate Similarity NPC477686
0.7358 Intermediate Similarity NPC191337
0.7353 Intermediate Similarity NPC147438
0.7353 Intermediate Similarity NPC264178
0.7333 Intermediate Similarity NPC320421
0.7143 Intermediate Similarity NPC477830
0.7143 Intermediate Similarity NPC143168
0.7143 Intermediate Similarity NPC53109
0.7143 Intermediate Similarity NPC26504
0.7121 Intermediate Similarity NPC134593
0.7097 Intermediate Similarity NPC79756
0.7059 Intermediate Similarity NPC111474
0.7042 Intermediate Similarity NPC473536
0.7037 Intermediate Similarity NPC166788
0.7031 Intermediate Similarity NPC7029
0.6935 Remote Similarity NPC38455
0.6885 Remote Similarity NPC268185
0.6852 Remote Similarity NPC25771
0.6842 Remote Similarity NPC118788
0.6842 Remote Similarity NPC225974
0.6842 Remote Similarity NPC15325
0.6812 Remote Similarity NPC66365
0.68 Remote Similarity NPC185839
0.6774 Remote Similarity NPC281195
0.6719 Remote Similarity NPC68044
0.6716 Remote Similarity NPC203335
0.6667 Remote Similarity NPC180840
0.6667 Remote Similarity NPC292463
0.6667 Remote Similarity NPC101670
0.6667 Remote Similarity NPC203233
0.6667 Remote Similarity NPC133600
0.6667 Remote Similarity NPC301972
0.6615 Remote Similarity NPC474774
0.6613 Remote Similarity NPC474825
0.6607 Remote Similarity NPC8610
0.6607 Remote Similarity NPC262558
0.66 Remote Similarity NPC38497
0.6575 Remote Similarity NPC471225
0.6575 Remote Similarity NPC283087
0.6557 Remote Similarity NPC25038
0.6552 Remote Similarity NPC228776
0.6552 Remote Similarity NPC32351
0.6515 Remote Similarity NPC475618
0.6462 Remote Similarity NPC151648
0.6452 Remote Similarity NPC221763
0.6447 Remote Similarity NPC474085
0.6438 Remote Similarity NPC477708
0.6418 Remote Similarity NPC7940
0.6364 Remote Similarity NPC477707
0.6364 Remote Similarity NPC216921
0.6364 Remote Similarity NPC474658
0.6349 Remote Similarity NPC283502
0.6329 Remote Similarity NPC132228
0.6329 Remote Similarity NPC263997
0.6329 Remote Similarity NPC241512
0.6329 Remote Similarity NPC8518
0.6329 Remote Similarity NPC6185
0.6324 Remote Similarity NPC469446
0.6324 Remote Similarity NPC137163
0.6316 Remote Similarity NPC471752
0.6316 Remote Similarity NPC100380
0.6308 Remote Similarity NPC309408
0.629 Remote Similarity NPC173157
0.629 Remote Similarity NPC297280
0.6286 Remote Similarity NPC474060
0.6282 Remote Similarity NPC288281
0.6271 Remote Similarity NPC107703
0.6271 Remote Similarity NPC163984
0.6271 Remote Similarity NPC288381
0.6271 Remote Similarity NPC20934
0.6271 Remote Similarity NPC58970
0.6271 Remote Similarity NPC176819
0.6267 Remote Similarity NPC469510
0.625 Remote Similarity NPC471753
0.625 Remote Similarity NPC291712
0.6234 Remote Similarity NPC99308
0.6232 Remote Similarity NPC122627
0.623 Remote Similarity NPC268564
0.623 Remote Similarity NPC37644
0.623 Remote Similarity NPC217188
0.6212 Remote Similarity NPC15193
0.6203 Remote Similarity NPC469884
0.62 Remote Similarity NPC12889
0.619 Remote Similarity NPC150717
0.6184 Remote Similarity NPC291260
0.6176 Remote Similarity NPC471556
0.6176 Remote Similarity NPC471566
0.6176 Remote Similarity NPC182794
0.6176 Remote Similarity NPC471565
0.6167 Remote Similarity NPC64866
0.6164 Remote Similarity NPC122244
0.614 Remote Similarity NPC158853
0.614 Remote Similarity NPC270706
0.6133 Remote Similarity NPC82666
0.6133 Remote Similarity NPC97173
0.6129 Remote Similarity NPC478120
0.6129 Remote Similarity NPC189677
0.6125 Remote Similarity NPC133652
0.6125 Remote Similarity NPC77971
0.6125 Remote Similarity NPC281172
0.6111 Remote Similarity NPC113082
0.6111 Remote Similarity NPC18205
0.6111 Remote Similarity NPC133098
0.6111 Remote Similarity NPC12319
0.6111 Remote Similarity NPC101147
0.6102 Remote Similarity NPC145311
0.6102 Remote Similarity NPC135698
0.6102 Remote Similarity NPC267110
0.6094 Remote Similarity NPC281230
0.6094 Remote Similarity NPC192843
0.6094 Remote Similarity NPC71755
0.6087 Remote Similarity NPC248125
0.6087 Remote Similarity NPC475555
0.6087 Remote Similarity NPC475675
0.6078 Remote Similarity NPC269641
0.6066 Remote Similarity NPC170167
0.6066 Remote Similarity NPC229046
0.6066 Remote Similarity NPC46565
0.6066 Remote Similarity NPC216407
0.6056 Remote Similarity NPC473603
0.6056 Remote Similarity NPC476591
0.6056 Remote Similarity NPC476059
0.6056 Remote Similarity NPC88877
0.6053 Remote Similarity NPC248624
0.6053 Remote Similarity NPC478122
0.6053 Remote Similarity NPC23778
0.6049 Remote Similarity NPC472009
0.6049 Remote Similarity NPC203795
0.6038 Remote Similarity NPC92863
0.6038 Remote Similarity NPC155880
0.6034 Remote Similarity NPC128280
0.6029 Remote Similarity NPC477456
0.6029 Remote Similarity NPC477457
0.6026 Remote Similarity NPC312419
0.6026 Remote Similarity NPC475833
0.6024 Remote Similarity NPC142159
0.6024 Remote Similarity NPC95364
0.6 Remote Similarity NPC106613
0.6 Remote Similarity NPC110725
0.6 Remote Similarity NPC266979
0.6 Remote Similarity NPC236338
0.6 Remote Similarity NPC311852
0.6 Remote Similarity NPC473213
0.6 Remote Similarity NPC132286
0.5976 Remote Similarity NPC472007
0.5974 Remote Similarity NPC471740
0.5974 Remote Similarity NPC475681
0.5972 Remote Similarity NPC203819
0.5972 Remote Similarity NPC315285
0.5972 Remote Similarity NPC107848
0.597 Remote Similarity NPC228574
0.597 Remote Similarity NPC294304
0.5968 Remote Similarity NPC296311
0.5968 Remote Similarity NPC45283
0.5968 Remote Similarity NPC23117
0.5952 Remote Similarity NPC223093
0.5952 Remote Similarity NPC224270
0.5949 Remote Similarity NPC47450
0.5946 Remote Similarity NPC160540
0.5938 Remote Similarity NPC473733
0.5932 Remote Similarity NPC91962
0.5932 Remote Similarity NPC324812
0.5926 Remote Similarity NPC475614
0.5926 Remote Similarity NPC217923
0.5926 Remote Similarity NPC67081
0.5926 Remote Similarity NPC471223
0.5926 Remote Similarity NPC470177
0.5926 Remote Similarity NPC2640

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC317796 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
0.9434 High Similarity NPD8779 Phase 3
0.7903 Intermediate Similarity NPD6108 Clinical (unspecified phase)
0.7344 Intermediate Similarity NPD3704 Approved
0.7143 Intermediate Similarity NPD2664 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD4756 Discovery
0.6538 Remote Similarity NPD5783 Phase 3
0.6481 Remote Similarity NPD9297 Discontinued
0.6481 Remote Similarity NPD9091 Suspended
0.6282 Remote Similarity NPD6110 Phase 1
0.614 Remote Similarity NPD9090 Phase 3
0.6 Remote Similarity NPD6109 Phase 1
0.5932 Remote Similarity NPD5343 Approved
0.5902 Remote Similarity NPD6927 Phase 3
0.5897 Remote Similarity NPD4695 Discontinued
0.5897 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5857 Remote Similarity NPD7331 Phase 2
0.5823 Remote Similarity NPD5115 Clinical (unspecified phase)
0.5781 Remote Similarity NPD4627 Clinical (unspecified phase)
0.569 Remote Similarity NPD6097 Approved
0.569 Remote Similarity NPD6096 Approved

Structure

External Identifiers

PubChem CID   4462
ChEMBL   CHEMBL1236594
ZINC  

Physicochemical Properties

Molecular Weight:  250.12
ALogP:  1.539
MLogP:  2.56
XLogP:  2.056
# Rotatable Bonds:  9
Polar Surface Area:  52.6
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  18

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs