Natural Product: NPC98897

Natural Product ID:  NPC98897
Common Name:   2-Methoxy-6-Nonadecyl-1,4-Benzoquinone
IUPAC Name:   2-methoxy-6-nonadecylcyclohexa-2,5-diene-1,4-dione
Synonyms:  
Molecular Formula:   C26H44O3
Standard InCHIKey:  BUINZVPKMRXEMB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C26H44O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-24(27)22-25(29-2)26(23)28/h21-22H,3-20H2,1-2H3
Canonical SMILES:  CCCCCCCCCCCCCCCCCCCC1=CC(=O)C=C(C1=O)OC
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
NPO25763 Miconia lepidota Species Melastomataceae Eukaryota Suriname rainforest PMID[11170656]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae Activity > 2000 ug/ml 8277312
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae Activity > 2000 ug/ml PubChem BioAssay data set

  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 NPC98897 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
0.9836 High Similarity NPC16119
0.9833 High Similarity NPC474400
0.9833 High Similarity NPC34622
0.9677 High Similarity NPC474619
0.9667 High Similarity NPC57463
0.9667 High Similarity NPC151728
0.9231 High Similarity NPC94743
0.9231 High Similarity NPC291062
0.9219 High Similarity NPC146376
0.9219 High Similarity NPC125578
0.9219 High Similarity NPC263382
0.9167 High Similarity NPC473494
0.9077 High Similarity NPC262673
0.9062 High Similarity NPC243272
0.8923 High Similarity NPC134385
0.8824 High Similarity NPC264178
0.8788 High Similarity NPC94488
0.873 High Similarity NPC477830
0.8594 High Similarity NPC7029
0.8438 Intermediate Similarity NPC53109
0.8438 Intermediate Similarity NPC143168
0.8226 Intermediate Similarity NPC200831
0.8226 Intermediate Similarity NPC224103
0.8226 Intermediate Similarity NPC299369
0.8167 Intermediate Similarity NPC474805
0.8095 Intermediate Similarity NPC139056
0.8033 Intermediate Similarity NPC317796
0.7945 Intermediate Similarity NPC473536
0.7879 Intermediate Similarity NPC477707
0.7812 Intermediate Similarity NPC320421
0.7763 Intermediate Similarity NPC474085
0.7746 Intermediate Similarity NPC474539
0.7703 Intermediate Similarity NPC283087
0.7667 Intermediate Similarity NPC220191
0.7576 Intermediate Similarity NPC229252
0.7576 Intermediate Similarity NPC143857
0.7568 Intermediate Similarity NPC477708
0.7541 Intermediate Similarity NPC22329
0.7375 Intermediate Similarity NPC133652
0.7375 Intermediate Similarity NPC6185
0.7375 Intermediate Similarity NPC241512
0.7375 Intermediate Similarity NPC263997
0.7375 Intermediate Similarity NPC132228
0.7375 Intermediate Similarity NPC8518
0.7297 Intermediate Similarity NPC147438
0.7222 Intermediate Similarity NPC469914
0.7183 Intermediate Similarity NPC298249
0.7183 Intermediate Similarity NPC251429
0.7164 Intermediate Similarity NPC274927
0.7164 Intermediate Similarity NPC106851
0.7143 Intermediate Similarity NPC23778
0.7143 Intermediate Similarity NPC231739
0.7143 Intermediate Similarity NPC478247
0.7143 Intermediate Similarity NPC478246
0.7123 Intermediate Similarity NPC477455
0.7105 Intermediate Similarity NPC26504
0.7089 Intermediate Similarity NPC474353
0.7089 Intermediate Similarity NPC286229
0.7083 Intermediate Similarity NPC134593
0.7051 Intermediate Similarity NPC471740
0.7031 Intermediate Similarity NPC39633
0.7031 Intermediate Similarity NPC139545
0.7031 Intermediate Similarity NPC309606
0.7013 Intermediate Similarity NPC471061
0.7 Intermediate Similarity NPC191337
0.6984 Remote Similarity NPC477458
0.6984 Remote Similarity NPC234829
0.6962 Remote Similarity NPC304795
0.6962 Remote Similarity NPC108955
0.6951 Remote Similarity NPC77971
0.6941 Remote Similarity NPC223093
0.6935 Remote Similarity NPC145311
0.6923 Remote Similarity NPC129710
0.6883 Remote Similarity NPC40353
0.6883 Remote Similarity NPC110725
0.6875 Remote Similarity NPC137396
0.6875 Remote Similarity NPC478262
0.6875 Remote Similarity NPC55869
0.6875 Remote Similarity NPC99308
0.6867 Remote Similarity NPC472009
0.6867 Remote Similarity NPC203795
0.6866 Remote Similarity NPC281230
0.6866 Remote Similarity NPC192843
0.686 Remote Similarity NPC32944
0.686 Remote Similarity NPC193396
0.6849 Remote Similarity NPC218477
0.6849 Remote Similarity NPC477452
0.6835 Remote Similarity NPC476177
0.6833 Remote Similarity NPC25771
0.6833 Remote Similarity NPC477686
0.6825 Remote Similarity NPC15325
0.6824 Remote Similarity NPC142159
0.6824 Remote Similarity NPC95364
0.6818 Remote Similarity NPC228473
0.6818 Remote Similarity NPC200845
0.6818 Remote Similarity NPC128061
0.6818 Remote Similarity NPC10316
0.6818 Remote Similarity NPC28779
0.6818 Remote Similarity NPC223677
0.6812 Remote Similarity NPC235242
0.6812 Remote Similarity NPC122521
0.6812 Remote Similarity NPC251042
0.6812 Remote Similarity NPC174447
0.68 Remote Similarity NPC66365
0.68 Remote Similarity NPC84038
0.6795 Remote Similarity NPC180290
0.679 Remote Similarity NPC103486
0.679 Remote Similarity NPC47450
0.6786 Remote Similarity NPC472007
0.6786 Remote Similarity NPC471739
0.6782 Remote Similarity NPC248193
0.6769 Remote Similarity NPC168521
0.6761 Remote Similarity NPC477456
0.6761 Remote Similarity NPC477457
0.6757 Remote Similarity NPC477448
0.6757 Remote Similarity NPC477449
0.6757 Remote Similarity NPC474060
0.6753 Remote Similarity NPC244166
0.6753 Remote Similarity NPC469414
0.6753 Remote Similarity NPC329826
0.6747 Remote Similarity NPC474680
0.6747 Remote Similarity NPC32037
0.6747 Remote Similarity NPC470177
0.6744 Remote Similarity NPC475823
0.6744 Remote Similarity NPC474209
0.6744 Remote Similarity NPC471399
0.6719 Remote Similarity NPC262968
0.6716 Remote Similarity NPC477201
0.6714 Remote Similarity NPC201939
0.6714 Remote Similarity NPC40082
0.6712 Remote Similarity NPC203335
0.6712 Remote Similarity NPC473213
0.6711 Remote Similarity NPC474705
0.6709 Remote Similarity NPC469996
0.6709 Remote Similarity NPC475994
0.6707 Remote Similarity NPC8091
0.6707 Remote Similarity NPC477786
0.6707 Remote Similarity NPC288281
0.6707 Remote Similarity NPC477785
0.6707 Remote Similarity NPC477784
0.6706 Remote Similarity NPC472008
0.6706 Remote Similarity NPC53454
0.6667 Remote Similarity NPC61473
0.6667 Remote Similarity NPC225515
0.6667 Remote Similarity NPC292463
0.6667 Remote Similarity NPC470525
0.6667 Remote Similarity NPC166110
0.6667 Remote Similarity NPC472136
0.6667 Remote Similarity NPC173321
0.6667 Remote Similarity NPC475833
0.6667 Remote Similarity NPC146852
0.6667 Remote Similarity NPC27205
0.6667 Remote Similarity NPC473223
0.6667 Remote Similarity NPC474527
0.6667 Remote Similarity NPC471726
0.6667 Remote Similarity NPC149237
0.6628 Remote Similarity NPC280833
0.6627 Remote Similarity NPC474359
0.6625 Remote Similarity NPC27817
0.6625 Remote Similarity NPC475681
0.6618 Remote Similarity NPC268185
0.6591 Remote Similarity NPC61275
0.6585 Remote Similarity NPC221231
0.6585 Remote Similarity NPC471326
0.6582 Remote Similarity NPC471225
0.6582 Remote Similarity NPC472300
0.6582 Remote Similarity NPC41780
0.6582 Remote Similarity NPC187568
0.6582 Remote Similarity NPC211279
0.6579 Remote Similarity NPC186531
0.6575 Remote Similarity NPC137163
0.6575 Remote Similarity NPC197089
0.6571 Remote Similarity NPC243532
0.6571 Remote Similarity NPC79756
0.6571 Remote Similarity NPC45097
0.6562 Remote Similarity NPC224227
0.6562 Remote Similarity NPC32351
0.6562 Remote Similarity NPC474391
0.6557 Remote Similarity NPC106547
0.6548 Remote Similarity NPC90287
0.6548 Remote Similarity NPC96621
0.6543 Remote Similarity NPC162741
0.6543 Remote Similarity NPC91332
0.6543 Remote Similarity NPC2482
0.6538 Remote Similarity NPC175079
0.6538 Remote Similarity NPC324762
0.6533 Remote Similarity NPC261398
0.6533 Remote Similarity NPC250928
0.6533 Remote Similarity NPC10758
0.6528 Remote Similarity NPC68343
0.6528 Remote Similarity NPC150162
0.6528 Remote Similarity NPC328089
0.6517 Remote Similarity NPC476596
0.6515 Remote Similarity NPC71761
0.6512 Remote Similarity NPC241507
0.6512 Remote Similarity NPC478261
0.6512 Remote Similarity NPC478259
0.6512 Remote Similarity NPC478260
0.6506 Remote Similarity NPC105803
0.6506 Remote Similarity NPC53733

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC98897 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
0.9836 High Similarity NPD6108 Clinical (unspecified phase)
0.8438 Intermediate Similarity NPD2664 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD3704 Approved
0.8226 Intermediate Similarity NPD8779 Phase 3
0.8194 Intermediate Similarity NPD4756 Discovery
0.7286 Intermediate Similarity NPD7331 Phase 2
0.6962 Remote Similarity NPD4695 Discontinued
0.6719 Remote Similarity NPD28 Approved
0.6719 Remote Similarity NPD29 Approved
0.6667 Remote Similarity NPD7341 Phase 2
0.6567 Remote Similarity NPD4627 Clinical (unspecified phase)
0.6528 Remote Similarity NPD3197 Phase 1
0.6512 Remote Similarity NPD6672 Approved
0.6512 Remote Similarity NPD5737 Approved
0.6418 Remote Similarity NPD3196 Approved
0.6418 Remote Similarity NPD4266 Approved
0.6418 Remote Similarity NPD3195 Phase 2
0.6418 Remote Similarity NPD3194 Approved
0.6341 Remote Similarity NPD8259 Clinical (unspecified phase)
0.631 Remote Similarity NPD6110 Phase 1
0.6269 Remote Similarity NPD3172 Approved
0.625 Remote Similarity NPD6673 Approved
0.625 Remote Similarity NPD6904 Approved
0.625 Remote Similarity NPD6080 Approved
0.6163 Remote Similarity NPD5329 Approved
0.6154 Remote Similarity NPD5282 Discontinued
0.6125 Remote Similarity NPD8039 Approved
0.6111 Remote Similarity NPD6050 Approved
0.6098 Remote Similarity NPD3617 Approved
0.6092 Remote Similarity NPD7521 Approved
0.6092 Remote Similarity NPD5279 Phase 3
0.6092 Remote Similarity NPD6098 Approved
0.6092 Remote Similarity NPD7334 Approved
0.6092 Remote Similarity NPD6409 Approved
0.6092 Remote Similarity NPD5690 Phase 2
0.6092 Remote Similarity NPD5330 Approved
0.6092 Remote Similarity NPD7146 Approved
0.6092 Remote Similarity NPD6684 Approved
0.6067 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6047 Remote Similarity NPD4197 Approved
0.6026 Remote Similarity NPD4691 Approved
0.6 Remote Similarity NPD5692 Phase 3
0.6 Remote Similarity NPD5783 Phase 3
0.5957 Remote Similarity NPD6083 Phase 2
0.5957 Remote Similarity NPD6084 Phase 2
0.5955 Remote Similarity NPD6903 Approved
0.5955 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5938 Remote Similarity NPD3174 Discontinued
0.5934 Remote Similarity NPD5694 Approved
0.5934 Remote Similarity NPD5693 Phase 1
0.593 Remote Similarity NPD7154 Phase 3
0.5914 Remote Similarity NPD5695 Phase 3
0.5909 Remote Similarity NPD5280 Approved
0.5909 Remote Similarity NPD4694 Approved
0.5897 Remote Similarity NPD4137 Phase 3
0.5889 Remote Similarity NPD4753 Phase 2
0.5862 Remote Similarity NPD3133 Approved
0.5862 Remote Similarity NPD3666 Approved
0.5862 Remote Similarity NPD4786 Approved
0.5862 Remote Similarity NPD3665 Phase 1
0.5843 Remote Similarity NPD3573 Approved
0.5823 Remote Similarity NPD4747 Approved
0.5814 Remote Similarity NPD4223 Phase 3
0.5814 Remote Similarity NPD4221 Approved
0.5814 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5814 Remote Similarity NPD3667 Approved
0.5802 Remote Similarity NPD4058 Approved
0.5802 Remote Similarity NPD5733 Approved
0.5795 Remote Similarity NPD1694 Approved
0.5795 Remote Similarity NPD1696 Phase 3
0.5795 Remote Similarity NPD5363 Approved
0.5761 Remote Similarity NPD6079 Approved
0.5758 Remote Similarity NPD5343 Approved
0.575 Remote Similarity NPD5276 Approved
0.5745 Remote Similarity NPD5210 Approved
0.5745 Remote Similarity NPD4629 Approved
0.573 Remote Similarity NPD3618 Phase 1
0.5729 Remote Similarity NPD5696 Approved
0.5714 Remote Similarity NPD5328 Approved
0.5714 Remote Similarity NPD9091 Suspended
0.5714 Remote Similarity NPD9297 Discontinued
0.5698 Remote Similarity NPD5369 Approved
0.5684 Remote Similarity NPD5221 Approved
0.5684 Remote Similarity NPD5222 Approved
0.5684 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5682 Remote Similarity NPD3668 Phase 3
0.5672 Remote Similarity NPD3173 Approved
0.5652 Remote Similarity NPD6698 Approved
0.5652 Remote Similarity NPD46 Approved
0.5652 Remote Similarity NPD5785 Approved
0.5638 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5638 Remote Similarity NPD7900 Approved
0.5638 Remote Similarity NPD7748 Approved
0.5632 Remote Similarity NPD4800 Clinical (unspecified phase)
0.5625 Remote Similarity NPD5173 Approved
0.5616 Remote Similarity NPD287 Approved
0.5616 Remote Similarity NPD6109 Phase 1
0.561 Remote Similarity NPD4687 Approved
0.5604 Remote Similarity NPD4518 Approved
0.5604 Remote Similarity NPD5208 Approved

Structure

External Identifiers

PubChem CID   21592368
ChEMBL   CHEMBL483435
ZINC  

Physicochemical Properties

Molecular Weight:  404.33
ALogP:  -5.2819
MLogP:  3.99
XLogP:  10.33
# Rotatable Bonds:  21
Polar Surface Area:  43.37
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  29

Download Data

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