Natural Product: NPC304162

Natural Product ID:  NPC304162
Common Name:   Minquartynoic Acid
IUPAC Name:   (17S)-17-hydroxyoctadeca-9,11,13,15-tetraynoic acid
Synonyms:   Minquartynoic Acid
Molecular Formula:   C18H20O3
Standard InCHIKey:  MTWGWIOCIREVRF-KRWDZBQOSA-N
Standard InCHI:  InChI=1S/C18H20O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h17,19H,4,6,8,10,12,14,16H2,1H3,(H,20,21)/t17-/m0/s1
Canonical SMILES:  OC(=O)CCCCCCCC#CC#CC#CC#C[C@@H](O)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
NPO32829 ochanostachys amentacea Species Coulaceae Eukaryota Twigs PMID[11430012]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT726 Cell Line M109 Mus musculus ED50 = 3.7 ug/ml 16499316
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 3 ug/ml 24164206
NPT841 Organism Leishmania major Leishmania major IC50 = 1.4 ug/ml 24164206
NPT136 Cell Line SK-N-SH Homo sapiens ED50 = 1.4 ug/ml 19880317
NPT2345 Cell Line SW626 Homo sapiens ED50 = 4.1 ug/ml 19548690
NPT2 Others Unspecified ED50 = 3.5 ug/ml 19548690
NPT1851 Cell Line Col2 Homo sapiens ED50 = 5.5 ug/ml 19548690
NPT1034 Cell Line Lu1 Homo sapiens ED50 = 4.1 ug/ml 19548690
NPT91 Cell Line KB Homo sapiens ED50 = 2.8 ug/ml 19548690
NPT91 Cell Line KB Homo sapiens ED50 = 3.7 ug/ml 19548690
NPT91 Cell Line KB Homo sapiens ED50 = 4.3 ug/ml 19548690
NPT168 Cell Line P388 Mus musculus ED50 = 0.18 ug/ml 25920564
NPT858 Cell Line LNCaP Homo sapiens ED50 = 1.6 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 NPC304162 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
0.9167 High Similarity NPC100096
0.913 High Similarity NPC328497
0.913 High Similarity NPC324004
0.8936 High Similarity NPC106872
0.8889 High Similarity NPC19305
0.8889 High Similarity NPC255837
0.8696 High Similarity NPC8219
0.8571 High Similarity NPC90904
0.8542 High Similarity NPC131770
0.8542 High Similarity NPC200618
0.8511 High Similarity NPC30195
0.8511 High Similarity NPC12438
0.8444 Intermediate Similarity NPC103286
0.8444 Intermediate Similarity NPC163746
0.8298 Intermediate Similarity NPC469781
0.8261 Intermediate Similarity NPC301528
0.8261 Intermediate Similarity NPC129972
0.8261 Intermediate Similarity NPC71317
0.8085 Intermediate Similarity NPC74845
0.8043 Intermediate Similarity NPC196924
0.8043 Intermediate Similarity NPC149184
0.8043 Intermediate Similarity NPC307783
0.8043 Intermediate Similarity NPC209970
0.8043 Intermediate Similarity NPC216630
0.8043 Intermediate Similarity NPC171736
0.8 Intermediate Similarity NPC301585
0.8 Intermediate Similarity NPC14227
0.8 Intermediate Similarity NPC261080
0.8 Intermediate Similarity NPC154186
0.8 Intermediate Similarity NPC301696
0.8 Intermediate Similarity NPC113928
0.8 Intermediate Similarity NPC279026
0.8 Intermediate Similarity NPC201844
0.7925 Intermediate Similarity NPC320588
0.7925 Intermediate Similarity NPC469937
0.7925 Intermediate Similarity NPC23155
0.7925 Intermediate Similarity NPC53463
0.7917 Intermediate Similarity NPC287231
0.7917 Intermediate Similarity NPC47363
0.7872 Intermediate Similarity NPC67462
0.7778 Intermediate Similarity NPC73245
0.7708 Intermediate Similarity NPC76051
0.7692 Intermediate Similarity NPC470411
0.7692 Intermediate Similarity NPC470412
0.7692 Intermediate Similarity NPC470410
0.7647 Intermediate Similarity NPC26253
0.7627 Intermediate Similarity NPC226592
0.7609 Intermediate Similarity NPC118968
0.7609 Intermediate Similarity NPC294085
0.7609 Intermediate Similarity NPC214610
0.7609 Intermediate Similarity NPC183424
0.7556 Intermediate Similarity NPC158179
0.75 Intermediate Similarity NPC236579
0.75 Intermediate Similarity NPC203531
0.7447 Intermediate Similarity NPC161097
0.7447 Intermediate Similarity NPC250028
0.7447 Intermediate Similarity NPC165533
0.7447 Intermediate Similarity NPC256163
0.7447 Intermediate Similarity NPC28598
0.7447 Intermediate Similarity NPC40597
0.7447 Intermediate Similarity NPC149299
0.74 Intermediate Similarity NPC52700
0.74 Intermediate Similarity NPC63182
0.74 Intermediate Similarity NPC145045
0.74 Intermediate Similarity NPC105329
0.7391 Intermediate Similarity NPC54980
0.7391 Intermediate Similarity NPC305660
0.7391 Intermediate Similarity NPC201622
0.7391 Intermediate Similarity NPC22903
0.7391 Intermediate Similarity NPC268826
0.7333 Intermediate Similarity NPC470320
0.7333 Intermediate Similarity NPC155263
0.7292 Intermediate Similarity NPC474361
0.7292 Intermediate Similarity NPC53541
0.7273 Intermediate Similarity NPC289979
0.7255 Intermediate Similarity NPC21844
0.7255 Intermediate Similarity NPC326957
0.7241 Intermediate Similarity NPC470363
0.7234 Intermediate Similarity NPC471282
0.7234 Intermediate Similarity NPC219536
0.7234 Intermediate Similarity NPC31551
0.7234 Intermediate Similarity NPC223249
0.7234 Intermediate Similarity NPC80234
0.7222 Intermediate Similarity NPC18357
0.72 Intermediate Similarity NPC273545
0.72 Intermediate Similarity NPC55023
0.717 Intermediate Similarity NPC55678
0.7143 Intermediate Similarity NPC82315
0.7119 Intermediate Similarity NPC243532
0.7115 Intermediate Similarity NPC477878
0.7115 Intermediate Similarity NPC324793
0.7111 Intermediate Similarity NPC156630
0.7111 Intermediate Similarity NPC317203
0.7083 Intermediate Similarity NPC12156
0.7059 Intermediate Similarity NPC314679
0.7037 Intermediate Similarity NPC287811
0.7018 Intermediate Similarity NPC187777
0.7018 Intermediate Similarity NPC179764
0.7 Intermediate Similarity NPC201939
0.7 Intermediate Similarity NPC317128
0.6957 Remote Similarity NPC474392
0.6957 Remote Similarity NPC134782
0.6957 Remote Similarity NPC474914
0.6949 Remote Similarity NPC17935
0.6909 Remote Similarity NPC161366
0.6863 Remote Similarity NPC62014
0.6842 Remote Similarity NPC274290
0.6842 Remote Similarity NPC473863
0.6842 Remote Similarity NPC54766
0.68 Remote Similarity NPC176500
0.68 Remote Similarity NPC289686
0.6774 Remote Similarity NPC314103
0.6769 Remote Similarity NPC28526
0.6739 Remote Similarity NPC97967
0.6727 Remote Similarity NPC314084
0.6721 Remote Similarity NPC477829
0.6667 Remote Similarity NPC136164
0.6667 Remote Similarity NPC476330
0.6667 Remote Similarity NPC72324
0.6667 Remote Similarity NPC319034
0.6667 Remote Similarity NPC255863
0.6667 Remote Similarity NPC175342
0.6667 Remote Similarity NPC193062
0.6667 Remote Similarity NPC66124
0.6667 Remote Similarity NPC475821
0.6667 Remote Similarity NPC245947
0.6667 Remote Similarity NPC1748
0.6613 Remote Similarity NPC235788
0.6613 Remote Similarity NPC474552
0.661 Remote Similarity NPC225929
0.6604 Remote Similarity NPC8597
0.66 Remote Similarity NPC325452
0.66 Remote Similarity NPC248763
0.6596 Remote Similarity NPC80396
0.6596 Remote Similarity NPC80641
0.6596 Remote Similarity NPC154642
0.6557 Remote Similarity NPC235242
0.6538 Remote Similarity NPC215358
0.6508 Remote Similarity NPC68343
0.6508 Remote Similarity NPC328089
0.6491 Remote Similarity NPC294548
0.6491 Remote Similarity NPC139029
0.6491 Remote Similarity NPC72722
0.6491 Remote Similarity NPC36061
0.6491 Remote Similarity NPC1813
0.6481 Remote Similarity NPC180534
0.6462 Remote Similarity NPC148192
0.6462 Remote Similarity NPC330426
0.6462 Remote Similarity NPC271921
0.6462 Remote Similarity NPC99619
0.6462 Remote Similarity NPC469925
0.6462 Remote Similarity NPC22101
0.6462 Remote Similarity NPC206601
0.6462 Remote Similarity NPC127091
0.6462 Remote Similarity NPC104537
0.6462 Remote Similarity NPC26500
0.6458 Remote Similarity NPC74352
0.6458 Remote Similarity NPC128996
0.6458 Remote Similarity NPC109026
0.6452 Remote Similarity NPC321838
0.6444 Remote Similarity NPC267243
0.6444 Remote Similarity NPC122962
0.6441 Remote Similarity NPC477201
0.6429 Remote Similarity NPC284212
0.6415 Remote Similarity NPC473914
0.6415 Remote Similarity NPC166287
0.6406 Remote Similarity NPC326268
0.6406 Remote Similarity NPC318420
0.6383 Remote Similarity NPC223374
0.6383 Remote Similarity NPC86545
0.6383 Remote Similarity NPC301398
0.6383 Remote Similarity NPC196442
0.6379 Remote Similarity NPC87394
0.6379 Remote Similarity NPC25417
0.6379 Remote Similarity NPC85813
0.6379 Remote Similarity NPC424
0.6379 Remote Similarity NPC261831
0.6379 Remote Similarity NPC87564
0.6379 Remote Similarity NPC88966
0.6379 Remote Similarity NPC290563
0.6379 Remote Similarity NPC281972
0.6379 Remote Similarity NPC32467
0.6379 Remote Similarity NPC6095
0.6379 Remote Similarity NPC154245
0.6364 Remote Similarity NPC473559
0.6364 Remote Similarity NPC319007
0.6364 Remote Similarity NPC48218
0.6364 Remote Similarity NPC324981
0.6364 Remote Similarity NPC141481
0.6349 Remote Similarity NPC29697
0.6349 Remote Similarity NPC325773
0.6316 Remote Similarity NPC310746
0.6316 Remote Similarity NPC473705
0.6316 Remote Similarity NPC281245
0.6304 Remote Similarity NPC185538
0.6304 Remote Similarity NPC328710
0.6304 Remote Similarity NPC272998
0.6304 Remote Similarity NPC205141
0.6304 Remote Similarity NPC181516
0.6304 Remote Similarity NPC291158

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC304162 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
0.8043 Intermediate Similarity NPD2270 Approved
0.8 Intermediate Similarity NPD9448 Phase 2
0.8 Intermediate Similarity NPD633 Phase 3
0.7925 Intermediate Similarity NPD3728 Approved
0.7925 Intermediate Similarity NPD3729 Clinical (unspecified phase)
0.7925 Intermediate Similarity NPD3730 Approved
0.7917 Intermediate Similarity NPD2699 Approved
0.7609 Intermediate Similarity NPD9655 Approved
0.7551 Intermediate Similarity NPD3199 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD3206 Approved
0.7241 Intermediate Similarity NPD3198 Approved
0.7115 Intermediate Similarity NPD6125 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD634 Phase 3
0.6774 Remote Similarity NPD7909 Approved
0.6774 Remote Similarity NPD3197 Phase 1
0.6607 Remote Similarity NPD3186 Phase 1
0.6491 Remote Similarity NPD3172 Approved
0.6481 Remote Similarity NPD622 Approved
0.6481 Remote Similarity NPD2266 Phase 2
0.6471 Remote Similarity NPD387 Clinical (unspecified phase)
0.6415 Remote Similarity NPD9430 Approved
0.6415 Remote Similarity NPD9431 Approved
0.64 Remote Similarity NPD9635 Discontinued
0.6379 Remote Similarity NPD3194 Approved
0.6379 Remote Similarity NPD3195 Phase 2
0.6379 Remote Similarity NPD4266 Approved
0.6379 Remote Similarity NPD3196 Approved
0.6379 Remote Similarity NPD615 Clinical (unspecified phase)
0.6304 Remote Similarity NPD5383 Approved
0.6304 Remote Similarity NPD2272 Approved
0.62 Remote Similarity NPD9450 Approved
0.62 Remote Similarity NPD77 Approved
0.6167 Remote Similarity NPD73 Approved
0.6032 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6 Remote Similarity NPD4627 Clinical (unspecified phase)
0.6 Remote Similarity NPD9513 Phase 1
0.5915 Remote Similarity NPD6113 Clinical (unspecified phase)
0.5862 Remote Similarity NPD9638 Phase 2
0.5862 Remote Similarity NPD28 Approved
0.5862 Remote Similarity NPD29 Approved
0.5833 Remote Similarity NPD8857 Approved
0.58 Remote Similarity NPD9449 Clinical (unspecified phase)
0.5789 Remote Similarity NPD3173 Approved
0.5763 Remote Similarity NPD65 Approved
0.5763 Remote Similarity NPD72 Approved
0.5763 Remote Similarity NPD9007 Approved
0.5763 Remote Similarity NPD9009 Approved
0.5763 Remote Similarity NPD8960 Approved
0.5763 Remote Similarity NPD9010 Approved
0.5763 Remote Similarity NPD64 Approved
0.5763 Remote Similarity NPD66 Approved
0.5763 Remote Similarity NPD9008 Approved
0.5763 Remote Similarity NPD9011 Approved
0.5753 Remote Similarity NPD6117 Approved
0.5676 Remote Similarity NPD6116 Phase 1
0.5672 Remote Similarity NPD3171 Clinical (unspecified phase)
0.5634 Remote Similarity NPD2256 Clinical (unspecified phase)
0.56 Remote Similarity NPD6115 Approved
0.56 Remote Similarity NPD6697 Approved
0.56 Remote Similarity NPD6118 Approved
0.56 Remote Similarity NPD6114 Approved

Structure

External Identifiers

PubChem CID   183614
ChEMBL   CHEMBL487989
ZINC  

Physicochemical Properties

Molecular Weight:  284.14
ALogP:  0.3196
MLogP:  3.11
XLogP:  4.878
# Rotatable Bonds:  10
Polar Surface Area:  57.53
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  21

Download Data

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