Natural Product: NPC300189

Natural Product ID:  NPC300189
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C10H16O
Standard InCHIKey:  NQFUSWIGRKFAHK-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3
Canonical SMILES:  CC1(C)C2CC3C(C1C2)(C)O3
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 DOI[10.1038/nbt.2488]
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO163 Daucus carota Species Apiaceae Eukaryota TM-MC*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT4107 Organism Culex pipiens Culex pipiens Ratio = 37.8 18424131
NPT1327 Organism Lipaphis erysimi Lipaphis erysimi Ratio = 0.415 18991452

  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 NPC300189 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
0.8364 Intermediate Similarity NPC53209
0.7759 Intermediate Similarity NPC170780
0.7586 Intermediate Similarity NPC471269
0.75 Intermediate Similarity NPC215671
0.75 Intermediate Similarity NPC87296
0.75 Intermediate Similarity NPC475515
0.7458 Intermediate Similarity NPC210316
0.7419 Intermediate Similarity NPC95804
0.7419 Intermediate Similarity NPC185547
0.7333 Intermediate Similarity NPC236588
0.7333 Intermediate Similarity NPC135438
0.7258 Intermediate Similarity NPC204173
0.7206 Intermediate Similarity NPC8004
0.7206 Intermediate Similarity NPC195530
0.7206 Intermediate Similarity NPC127283
0.7193 Intermediate Similarity NPC274261
0.7193 Intermediate Similarity NPC291724
0.7143 Intermediate Similarity NPC294858
0.7091 Intermediate Similarity NPC223468
0.7091 Intermediate Similarity NPC287550
0.7091 Intermediate Similarity NPC84030
0.7091 Intermediate Similarity NPC147343
0.7091 Intermediate Similarity NPC198540
0.7091 Intermediate Similarity NPC176309
0.7049 Intermediate Similarity NPC7491
0.7049 Intermediate Similarity NPC27853
0.7049 Intermediate Similarity NPC65786
0.7049 Intermediate Similarity NPC101285
0.7049 Intermediate Similarity NPC13789
0.7 Intermediate Similarity NPC272359
0.697 Remote Similarity NPC473929
0.6957 Remote Similarity NPC473279
0.6949 Remote Similarity NPC36002
0.6949 Remote Similarity NPC102336
0.6935 Remote Similarity NPC47663
0.6901 Remote Similarity NPC472952
0.6901 Remote Similarity NPC472950
0.6866 Remote Similarity NPC476928
0.6852 Remote Similarity NPC287331
0.6852 Remote Similarity NPC302939
0.6833 Remote Similarity NPC202146
0.6833 Remote Similarity NPC32222
0.6825 Remote Similarity NPC185116
0.6825 Remote Similarity NPC95958
0.6818 Remote Similarity NPC260116
0.6818 Remote Similarity NPC474380
0.6818 Remote Similarity NPC41577
0.6818 Remote Similarity NPC473276
0.6818 Remote Similarity NPC80463
0.6812 Remote Similarity NPC282454
0.6806 Remote Similarity NPC470145
0.6786 Remote Similarity NPC14552
0.6769 Remote Similarity NPC290791
0.6769 Remote Similarity NPC292419
0.6716 Remote Similarity NPC475897
0.6714 Remote Similarity NPC157422
0.6714 Remote Similarity NPC157777
0.6714 Remote Similarity NPC100586
0.6714 Remote Similarity NPC131506
0.6714 Remote Similarity NPC109457
0.6712 Remote Similarity NPC476233
0.6667 Remote Similarity NPC69149
0.6667 Remote Similarity NPC299948
0.6667 Remote Similarity NPC161473
0.6667 Remote Similarity NPC241085
0.6667 Remote Similarity NPC470830
0.6667 Remote Similarity NPC186851
0.6667 Remote Similarity NPC101128
0.6622 Remote Similarity NPC471769
0.662 Remote Similarity NPC472341
0.662 Remote Similarity NPC253805
0.662 Remote Similarity NPC109510
0.662 Remote Similarity NPC473238
0.6618 Remote Similarity NPC269077
0.6618 Remote Similarity NPC139207
0.6618 Remote Similarity NPC48079
0.6618 Remote Similarity NPC253303
0.6618 Remote Similarity NPC475884
0.6618 Remote Similarity NPC185874
0.6618 Remote Similarity NPC473230
0.6615 Remote Similarity NPC253204
0.6615 Remote Similarity NPC71460
0.6615 Remote Similarity NPC218585
0.6615 Remote Similarity NPC148174
0.6615 Remote Similarity NPC83088
0.6613 Remote Similarity NPC3025
0.661 Remote Similarity NPC474331
0.661 Remote Similarity NPC307022
0.6552 Remote Similarity NPC316035
0.6552 Remote Similarity NPC224987
0.6545 Remote Similarity NPC144891
0.6533 Remote Similarity NPC275243
0.6528 Remote Similarity NPC74639
0.6528 Remote Similarity NPC470151
0.6528 Remote Similarity NPC71152
0.6528 Remote Similarity NPC477508
0.6528 Remote Similarity NPC55508
0.6522 Remote Similarity NPC474756
0.6522 Remote Similarity NPC244790
0.6522 Remote Similarity NPC472741
0.6522 Remote Similarity NPC475893
0.6515 Remote Similarity NPC209686
0.6515 Remote Similarity NPC249078
0.6515 Remote Similarity NPC236099
0.6515 Remote Similarity NPC114891
0.6508 Remote Similarity NPC29976
0.6508 Remote Similarity NPC150713
0.6486 Remote Similarity NPC143250
0.6479 Remote Similarity NPC470071
0.6479 Remote Similarity NPC187471
0.6479 Remote Similarity NPC1340
0.6479 Remote Similarity NPC252182
0.6471 Remote Similarity NPC44122
0.6471 Remote Similarity NPC142712
0.6471 Remote Similarity NPC42630
0.6471 Remote Similarity NPC84562
0.6462 Remote Similarity NPC475412
0.6462 Remote Similarity NPC478126
0.6447 Remote Similarity NPC472943
0.6447 Remote Similarity NPC16449
0.6447 Remote Similarity NPC186588
0.6447 Remote Similarity NPC472951
0.6438 Remote Similarity NPC91387
0.6438 Remote Similarity NPC231680
0.6438 Remote Similarity NPC270306
0.6429 Remote Similarity NPC107919
0.6429 Remote Similarity NPC254037
0.6429 Remote Similarity NPC129829
0.6429 Remote Similarity NPC470833
0.6429 Remote Similarity NPC66407
0.6429 Remote Similarity NPC210323
0.6418 Remote Similarity NPC94897
0.6418 Remote Similarity NPC281540
0.6418 Remote Similarity NPC144650
0.6418 Remote Similarity NPC159654
0.6418 Remote Similarity NPC68656
0.6418 Remote Similarity NPC118937
0.6418 Remote Similarity NPC167995
0.6406 Remote Similarity NPC474769
0.6406 Remote Similarity NPC189290
0.6406 Remote Similarity NPC132998
0.64 Remote Similarity NPC475725
0.6389 Remote Similarity NPC474123
0.6377 Remote Similarity NPC474477
0.6377 Remote Similarity NPC204233
0.6377 Remote Similarity NPC41542
0.6364 Remote Similarity NPC82843
0.6351 Remote Similarity NPC470766
0.6338 Remote Similarity NPC192192
0.6338 Remote Similarity NPC231945
0.6324 Remote Similarity NPC11555
0.6324 Remote Similarity NPC172613
0.6324 Remote Similarity NPC474768
0.6324 Remote Similarity NPC282619
0.6324 Remote Similarity NPC477603
0.6324 Remote Similarity NPC2728
0.6324 Remote Similarity NPC258595
0.6324 Remote Similarity NPC60837
0.6324 Remote Similarity NPC208198
0.6316 Remote Similarity NPC108441
0.6316 Remote Similarity NPC77550
0.6308 Remote Similarity NPC87828
0.6308 Remote Similarity NPC9880
0.6308 Remote Similarity NPC230070
0.6301 Remote Similarity NPC475458
0.6286 Remote Similarity NPC139785
0.6286 Remote Similarity NPC469987
0.6286 Remote Similarity NPC2648
0.6286 Remote Similarity NPC245795
0.6286 Remote Similarity NPC475786
0.6286 Remote Similarity NPC276616
0.6269 Remote Similarity NPC283247
0.6267 Remote Similarity NPC470750
0.6267 Remote Similarity NPC11907
0.6267 Remote Similarity NPC64081
0.6267 Remote Similarity NPC133596
0.6267 Remote Similarity NPC470751
0.6267 Remote Similarity NPC212453
0.6267 Remote Similarity NPC307865
0.6267 Remote Similarity NPC474574
0.6267 Remote Similarity NPC169994
0.625 Remote Similarity NPC167706
0.625 Remote Similarity NPC164022
0.625 Remote Similarity NPC127094
0.6234 Remote Similarity NPC66766
0.6234 Remote Similarity NPC117137
0.6216 Remote Similarity NPC72444
0.6216 Remote Similarity NPC478105
0.6212 Remote Similarity NPC84218
0.6212 Remote Similarity NPC66145
0.6203 Remote Similarity NPC477978
0.6197 Remote Similarity NPC477820
0.619 Remote Similarity NPC283655
0.619 Remote Similarity NPC166894
0.619 Remote Similarity NPC89069
0.619 Remote Similarity NPC277917
0.619 Remote Similarity NPC178223
0.6184 Remote Similarity NPC477577
0.6184 Remote Similarity NPC52755
0.6176 Remote Similarity NPC219940

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC300189 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
0.7091 Intermediate Similarity NPD385 Approved
0.7091 Intermediate Similarity NPD384 Approved
0.6852 Remote Similarity NPD367 Approved
0.6429 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6418 Remote Similarity NPD371 Approved
0.6316 Remote Similarity NPD386 Approved
0.6316 Remote Similarity NPD388 Approved
0.6111 Remote Similarity NPD4787 Phase 1
0.6 Remote Similarity NPD9410 Clinical (unspecified phase)
0.5972 Remote Similarity NPD3700 Clinical (unspecified phase)
0.5972 Remote Similarity NPD3699 Clinical (unspecified phase)
0.589 Remote Similarity NPD2686 Approved
0.589 Remote Similarity NPD2687 Approved
0.589 Remote Similarity NPD2254 Approved
0.5846 Remote Similarity NPD586 Phase 1
0.5811 Remote Similarity NPD5777 Approved
0.5811 Remote Similarity NPD4808 Clinical (unspecified phase)
0.5811 Remote Similarity NPD4809 Clinical (unspecified phase)
0.5789 Remote Similarity NPD3703 Phase 2
0.5735 Remote Similarity NPD1145 Discontinued
0.5714 Remote Similarity NPD1460 Approved
0.5714 Remote Similarity NPD6117 Approved
0.5696 Remote Similarity NPD7645 Phase 2
0.5658 Remote Similarity NPD6113 Clinical (unspecified phase)
0.5658 Remote Similarity NPD1810 Approved
0.5658 Remote Similarity NPD1811 Approved
0.5641 Remote Similarity NPD6116 Phase 1
0.5634 Remote Similarity NPD3171 Clinical (unspecified phase)
0.5625 Remote Similarity NPD7525 Registered
0.5625 Remote Similarity NPD6928 Phase 2
0.5616 Remote Similarity NPD5361 Clinical (unspecified phase)
0.5616 Remote Similarity NPD5360 Phase 3

Structure

External Identifiers

PubChem CID   91508
ChEMBL   CHEMBL274511
ZINC  

Physicochemical Properties

Molecular Weight:  152.12
ALogP:  0.8419
MLogP:  2.45
XLogP:  2.533
# Rotatable Bonds:  3
Polar Surface Area:  12.53
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  11

Download Data

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