Natural Product: NPC76051

Natural Product ID:  NPC76051
Common Name:   1-Hydroxytetradecan-3-One
IUPAC Name:   1-hydroxytetradecan-3-one
Synonyms:  
Molecular Formula:   C14H28O2
Standard InCHIKey:  UBCVTAPCCQRPJS-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h15H,2-13H2,1H3
Canonical SMILES:  CCCCCCCCCCCC(=O)CCO
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
NPO3165 Cochlospermum tinctorium Species Bixaceae Eukaryota PMID[12350157]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 68000 nM 21036050

  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 NPC76051 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
0.8837 High Similarity NPC469781
0.8667 High Similarity NPC200618
0.8667 High Similarity NPC131770
0.8298 Intermediate Similarity NPC90904
0.8043 Intermediate Similarity NPC324004
0.8043 Intermediate Similarity NPC328497
0.7872 Intermediate Similarity NPC106872
0.7826 Intermediate Similarity NPC12438
0.7826 Intermediate Similarity NPC30195
0.7778 Intermediate Similarity NPC74845
0.7727 Intermediate Similarity NPC474361
0.7708 Intermediate Similarity NPC304162
0.7674 Intermediate Similarity NPC279026
0.7674 Intermediate Similarity NPC301585
0.7674 Intermediate Similarity NPC113928
0.7674 Intermediate Similarity NPC261080
0.7674 Intermediate Similarity NPC154186
0.7674 Intermediate Similarity NPC201844
0.7674 Intermediate Similarity NPC14227
0.7674 Intermediate Similarity NPC301696
0.7333 Intermediate Similarity NPC216630
0.7333 Intermediate Similarity NPC209970
0.7333 Intermediate Similarity NPC149184
0.7333 Intermediate Similarity NPC171736
0.7333 Intermediate Similarity NPC307783
0.7333 Intermediate Similarity NPC196924
0.7273 Intermediate Similarity NPC294085
0.7273 Intermediate Similarity NPC118968
0.7273 Intermediate Similarity NPC183424
0.7273 Intermediate Similarity NPC214610
0.7273 Intermediate Similarity NPC17935
0.7174 Intermediate Similarity NPC67462
0.7111 Intermediate Similarity NPC149299
0.7111 Intermediate Similarity NPC40597
0.7111 Intermediate Similarity NPC256163
0.7111 Intermediate Similarity NPC250028
0.7073 Intermediate Similarity NPC319034
0.7073 Intermediate Similarity NPC72324
0.7073 Intermediate Similarity NPC66124
0.7073 Intermediate Similarity NPC1748
0.7073 Intermediate Similarity NPC193062
0.7059 Intermediate Similarity NPC100096
0.7045 Intermediate Similarity NPC201622
0.7045 Intermediate Similarity NPC268826
0.7045 Intermediate Similarity NPC54980
0.7045 Intermediate Similarity NPC305660
0.7045 Intermediate Similarity NPC22903
0.7021 Intermediate Similarity NPC255837
0.7021 Intermediate Similarity NPC19305
0.7 Intermediate Similarity NPC163556
0.7 Intermediate Similarity NPC112242
0.7 Intermediate Similarity NPC147096
0.7 Intermediate Similarity NPC24506
0.7 Intermediate Similarity NPC225783
0.7 Intermediate Similarity NPC185041
0.7 Intermediate Similarity NPC236797
0.7 Intermediate Similarity NPC168982
0.7 Intermediate Similarity NPC26253
0.6981 Remote Similarity NPC469937
0.6981 Remote Similarity NPC23155
0.6981 Remote Similarity NPC320588
0.6981 Remote Similarity NPC53463
0.6977 Remote Similarity NPC474392
0.6977 Remote Similarity NPC474914
0.6977 Remote Similarity NPC301919
0.6977 Remote Similarity NPC155263
0.6957 Remote Similarity NPC53541
0.6889 Remote Similarity NPC80234
0.6889 Remote Similarity NPC31551
0.6889 Remote Similarity NPC219536
0.6889 Remote Similarity NPC223249
0.6875 Remote Similarity NPC55023
0.6875 Remote Similarity NPC8219
0.6875 Remote Similarity NPC287231
0.6875 Remote Similarity NPC47363
0.6829 Remote Similarity NPC126915
0.6829 Remote Similarity NPC122962
0.6829 Remote Similarity NPC267243
0.6809 Remote Similarity NPC236579
0.6809 Remote Similarity NPC203531
0.6809 Remote Similarity NPC289686
0.675 Remote Similarity NPC153439
0.675 Remote Similarity NPC42403
0.675 Remote Similarity NPC79887
0.675 Remote Similarity NPC4962
0.675 Remote Similarity NPC29561
0.675 Remote Similarity NPC196434
0.675 Remote Similarity NPC222997
0.675 Remote Similarity NPC221192
0.6744 Remote Similarity NPC317203
0.6744 Remote Similarity NPC156630
0.6744 Remote Similarity NPC97967
0.6739 Remote Similarity NPC165533
0.6739 Remote Similarity NPC161097
0.6739 Remote Similarity NPC28598
0.6735 Remote Similarity NPC314679
0.6735 Remote Similarity NPC63182
0.6735 Remote Similarity NPC145045
0.6735 Remote Similarity NPC52700
0.6735 Remote Similarity NPC105329
0.6667 Remote Similarity NPC12231
0.6667 Remote Similarity NPC185538
0.6667 Remote Similarity NPC475821
0.6667 Remote Similarity NPC139131
0.6667 Remote Similarity NPC152759
0.6667 Remote Similarity NPC291158
0.6667 Remote Similarity NPC476330
0.6667 Remote Similarity NPC272998
0.6667 Remote Similarity NPC205141
0.6667 Remote Similarity NPC181516
0.66 Remote Similarity NPC21844
0.66 Remote Similarity NPC326957
0.6596 Remote Similarity NPC103286
0.6596 Remote Similarity NPC163746
0.6591 Remote Similarity NPC134782
0.6531 Remote Similarity NPC273545
0.65 Remote Similarity NPC38859
0.65 Remote Similarity NPC314103
0.65 Remote Similarity NPC279895
0.65 Remote Similarity NPC198118
0.65 Remote Similarity NPC295442
0.6471 Remote Similarity NPC324793
0.6471 Remote Similarity NPC13105
0.6471 Remote Similarity NPC477878
0.6458 Remote Similarity NPC129972
0.6458 Remote Similarity NPC301528
0.6458 Remote Similarity NPC71317
0.6444 Remote Similarity NPC109026
0.6444 Remote Similarity NPC74352
0.6429 Remote Similarity NPC225318
0.6429 Remote Similarity NPC261991
0.6429 Remote Similarity NPC268596
0.6429 Remote Similarity NPC179831
0.6429 Remote Similarity NPC76608
0.6429 Remote Similarity NPC262505
0.6429 Remote Similarity NPC49151
0.6429 Remote Similarity NPC149101
0.6429 Remote Similarity NPC16578
0.6429 Remote Similarity NPC254713
0.6383 Remote Similarity NPC320331
0.6383 Remote Similarity NPC12156
0.6379 Remote Similarity NPC470363
0.6349 Remote Similarity NPC477452
0.6349 Remote Similarity NPC319007
0.6341 Remote Similarity NPC110884
0.6333 Remote Similarity NPC474552
0.6327 Remote Similarity NPC317128
0.6304 Remote Similarity NPC73245
0.6296 Remote Similarity NPC473705
0.6279 Remote Similarity NPC175342
0.6271 Remote Similarity NPC243532
0.625 Remote Similarity NPC248763
0.625 Remote Similarity NPC325452
0.6226 Remote Similarity NPC473487
0.6226 Remote Similarity NPC55678
0.6222 Remote Similarity NPC80396
0.6222 Remote Similarity NPC80641
0.6222 Remote Similarity NPC154642
0.619 Remote Similarity NPC469925
0.617 Remote Similarity NPC471282
0.6167 Remote Similarity NPC469923
0.6167 Remote Similarity NPC201939
0.6154 Remote Similarity NPC172086
0.6154 Remote Similarity NPC247546
0.6154 Remote Similarity NPC477455
0.6154 Remote Similarity NPC42526
0.6154 Remote Similarity NPC180534
0.6154 Remote Similarity NPC476731
0.614 Remote Similarity NPC40148
0.614 Remote Similarity NPC477201
0.6136 Remote Similarity NPC49615
0.6129 Remote Similarity NPC474329
0.6129 Remote Similarity NPC474304
0.6122 Remote Similarity NPC176500
0.6111 Remote Similarity NPC314084
0.6111 Remote Similarity NPC470412
0.6111 Remote Similarity NPC470410
0.6111 Remote Similarity NPC287811
0.6111 Remote Similarity NPC470411
0.6102 Remote Similarity NPC469924
0.6098 Remote Similarity NPC159845
0.6087 Remote Similarity NPC177022
0.6078 Remote Similarity NPC166287
0.6066 Remote Similarity NPC235788
0.6061 Remote Similarity NPC473267
0.6032 Remote Similarity NPC473899
0.6 Remote Similarity NPC79591
0.6 Remote Similarity NPC191084
0.6 Remote Similarity NPC223374
0.6 Remote Similarity NPC281245
0.6 Remote Similarity NPC301398
0.6 Remote Similarity NPC250870
0.6 Remote Similarity NPC196442
0.6 Remote Similarity NPC86545
0.6 Remote Similarity NPC469921
0.6 Remote Similarity NPC168052
0.597 Remote Similarity NPC275098
0.5968 Remote Similarity NPC128608
0.5968 Remote Similarity NPC226592
0.5968 Remote Similarity NPC470320

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC76051 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
0.7674 Intermediate Similarity NPD9448 Phase 2
0.7674 Intermediate Similarity NPD633 Phase 3
0.7333 Intermediate Similarity NPD2270 Approved
0.7273 Intermediate Similarity NPD9655 Approved
0.6981 Remote Similarity NPD3730 Approved
0.6981 Remote Similarity NPD3728 Approved
0.6981 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6875 Remote Similarity NPD3199 Clinical (unspecified phase)
0.6875 Remote Similarity NPD2699 Approved
0.6735 Remote Similarity NPD634 Phase 3
0.6667 Remote Similarity NPD5383 Approved
0.6667 Remote Similarity NPD2272 Approved
0.6667 Remote Similarity NPD3206 Approved
0.6379 Remote Similarity NPD3198 Approved
0.6364 Remote Similarity NPD615 Clinical (unspecified phase)
0.6154 Remote Similarity NPD9005 Phase 3
0.6154 Remote Similarity NPD9004 Approved
0.6154 Remote Similarity NPD622 Approved
0.6154 Remote Similarity NPD6125 Clinical (unspecified phase)
0.6154 Remote Similarity NPD9003 Clinical (unspecified phase)
0.614 Remote Similarity NPD73 Approved
0.6129 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6122 Remote Similarity NPD387 Clinical (unspecified phase)
0.6111 Remote Similarity NPD9638 Phase 2
0.6078 Remote Similarity NPD9430 Approved
0.6078 Remote Similarity NPD9431 Approved
0.6038 Remote Similarity NPD8964 Approved
0.6032 Remote Similarity NPD3704 Approved
0.6 Remote Similarity NPD3186 Phase 1
0.5968 Remote Similarity NPD3197 Phase 1
0.5968 Remote Similarity NPD7909 Approved
0.5893 Remote Similarity NPD3172 Approved
0.5849 Remote Similarity NPD2266 Phase 2
0.5833 Remote Similarity NPD9450 Approved
0.5833 Remote Similarity NPD77 Approved
0.5821 Remote Similarity NPD2256 Clinical (unspecified phase)
0.5818 Remote Similarity NPD9002 Approved
0.5818 Remote Similarity NPD9001 Clinical (unspecified phase)
0.5789 Remote Similarity NPD3196 Approved
0.5789 Remote Similarity NPD4266 Approved
0.5789 Remote Similarity NPD3194 Approved
0.5789 Remote Similarity NPD3195 Phase 2
0.5778 Remote Similarity NPD8857 Approved
0.5758 Remote Similarity NPD3699 Clinical (unspecified phase)
0.5758 Remote Similarity NPD3698 Phase 2
0.5758 Remote Similarity NPD3700 Clinical (unspecified phase)
0.5714 Remote Similarity NPD9009 Approved
0.5714 Remote Similarity NPD64 Approved
0.5714 Remote Similarity NPD65 Approved
0.5714 Remote Similarity NPD9007 Approved
0.5714 Remote Similarity NPD8960 Approved
0.5714 Remote Similarity NPD66 Approved
0.5714 Remote Similarity NPD9011 Approved
0.5714 Remote Similarity NPD9008 Approved
0.5714 Remote Similarity NPD72 Approved
0.5714 Remote Similarity NPD7536 Approved
0.5714 Remote Similarity NPD9010 Approved
0.569 Remote Similarity NPD4627 Clinical (unspecified phase)
0.5682 Remote Similarity NPD907 Approved
0.5682 Remote Similarity NPD1461 Approved
0.5682 Remote Similarity NPD908 Approved
0.5672 Remote Similarity NPD4244 Approved
0.5672 Remote Similarity NPD4789 Approved
0.5672 Remote Similarity NPD4245 Approved
0.5625 Remote Similarity NPD9513 Phase 1

Structure

External Identifiers

PubChem CID   21588211
ChEMBL   CHEMBL453487
ZINC  

Physicochemical Properties

Molecular Weight:  228.21
ALogP:  -3.1836
MLogP:  2.78
XLogP:  4.68
# Rotatable Bonds:  14
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  16

Download Data

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Structure MOL file  
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Similar NPs/Drugs