Natural Product: NPC314679

Natural Product ID:  NPC314679
Common Name:   12-Methyltetradecanoic Acid
IUPAC Name:   12-methyltetradecanoic acid
Synonyms:   12-Methyl Tetradecanoic Acid
Molecular Formula:   C15H30O2
Standard InCHIKey:  XKLJLHAPJBUBNL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
Canonical SMILES:  CCC(CCCCCCCCCCC(=O)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
NPO1125 Streptomyces manipurensis Species Streptomycetaceae Bacteria StreptomeDB*
NPO16181 Streptomyces indicus Species Streptomycetaceae Bacteria StreptomeDB*
NPO4362 Streptomyces endophyticus Species Streptomycetaceae Bacteria StreptomeDB*
NPO32148 Streptomyces km86-9b Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT878 Organism Streptococcus mutans Streptococcus mutans MIC = 3.13 ug/ml 10843583
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 125892.5 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT803 Individual Protein Flap endonuclease 1 Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT9 Individual Protein DNA polymerase eta Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT917 Individual Protein Dengue virus type 2 NS3 protein Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) IC50 42030 nM PubChem BioAssay data set
NPT755 Individual Protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT161 Individual Protein Rap guanine nucleotide exchange factor 4 Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT446 Individual Protein Rap guanine nucleotide exchange factor 3 Homo sapiens Potency 112201.8 nM PubChem BioAssay data set
NPT831 Individual Protein Serine/threonine-protein kinase PLK1 Homo sapiens Potency 21192.3 nM PubChem BioAssay data set
NPT446 Individual Protein Rap guanine nucleotide exchange factor 3 Homo sapiens Potency 50118.7 nM 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 NPC314679 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
0.9762 High Similarity NPC55023
0.9545 High Similarity NPC477878
0.9545 High Similarity NPC324793
0.9318 High Similarity NPC21844
0.9048 High Similarity NPC248763
0.9048 High Similarity NPC325452
0.8571 High Similarity NPC301585
0.8571 High Similarity NPC14227
0.8571 High Similarity NPC113928
0.8571 High Similarity NPC261080
0.8571 High Similarity NPC154186
0.8571 High Similarity NPC3531
0.8571 High Similarity NPC301696
0.8571 High Similarity NPC279026
0.8571 High Similarity NPC72722
0.8571 High Similarity NPC201844
0.8182 Intermediate Similarity NPC307783
0.8182 Intermediate Similarity NPC196924
0.8182 Intermediate Similarity NPC216630
0.8182 Intermediate Similarity NPC171736
0.8182 Intermediate Similarity NPC149184
0.8182 Intermediate Similarity NPC209970
0.814 Intermediate Similarity NPC214610
0.814 Intermediate Similarity NPC118968
0.814 Intermediate Similarity NPC183424
0.814 Intermediate Similarity NPC294085
0.8095 Intermediate Similarity NPC252843
0.8 Intermediate Similarity NPC67462
0.7959 Intermediate Similarity NPC305182
0.7907 Intermediate Similarity NPC268826
0.7857 Intermediate Similarity NPC155263
0.7826 Intermediate Similarity NPC19305
0.7826 Intermediate Similarity NPC74845
0.7826 Intermediate Similarity NPC255837
0.766 Intermediate Similarity NPC8219
0.7636 Intermediate Similarity NPC475821
0.7619 Intermediate Similarity NPC156630
0.75 Intermediate Similarity NPC305660
0.75 Intermediate Similarity NPC30195
0.75 Intermediate Similarity NPC22903
0.75 Intermediate Similarity NPC201622
0.75 Intermediate Similarity NPC54980
0.75 Intermediate Similarity NPC12438
0.7451 Intermediate Similarity NPC314084
0.7442 Intermediate Similarity NPC134782
0.74 Intermediate Similarity NPC476469
0.7391 Intermediate Similarity NPC103286
0.7391 Intermediate Similarity NPC163746
0.7358 Intermediate Similarity NPC319589
0.7347 Intermediate Similarity NPC328497
0.7347 Intermediate Similarity NPC249754
0.7347 Intermediate Similarity NPC324004
0.7333 Intermediate Similarity NPC31551
0.7333 Intermediate Similarity NPC219536
0.7321 Intermediate Similarity NPC470363
0.7321 Intermediate Similarity NPC469924
0.7241 Intermediate Similarity NPC474552
0.7234 Intermediate Similarity NPC301528
0.7234 Intermediate Similarity NPC71317
0.7234 Intermediate Similarity NPC129972
0.72 Intermediate Similarity NPC131770
0.72 Intermediate Similarity NPC106872
0.72 Intermediate Similarity NPC13105
0.72 Intermediate Similarity NPC200618
0.7193 Intermediate Similarity NPC469921
0.7174 Intermediate Similarity NPC256163
0.7174 Intermediate Similarity NPC12156
0.7174 Intermediate Similarity NPC149299
0.7174 Intermediate Similarity NPC250028
0.7174 Intermediate Similarity NPC28598
0.7174 Intermediate Similarity NPC161097
0.7174 Intermediate Similarity NPC40597
0.7143 Intermediate Similarity NPC175342
0.7143 Intermediate Similarity NPC308301
0.7143 Intermediate Similarity NPC282440
0.7119 Intermediate Similarity NPC470325
0.7119 Intermediate Similarity NPC234767
0.7119 Intermediate Similarity NPC53642
0.7111 Intermediate Similarity NPC73245
0.7083 Intermediate Similarity NPC317128
0.7069 Intermediate Similarity NPC469923
0.7069 Intermediate Similarity NPC174560
0.7069 Intermediate Similarity NPC125312
0.7059 Intermediate Similarity NPC304162
0.7021 Intermediate Similarity NPC53541
0.7 Intermediate Similarity NPC469791
0.7 Intermediate Similarity NPC476330
0.7 Intermediate Similarity NPC19311
0.7 Intermediate Similarity NPC230047
0.6957 Remote Similarity NPC80234
0.6957 Remote Similarity NPC223249
0.6949 Remote Similarity NPC235788
0.6923 Remote Similarity NPC90904
0.6905 Remote Similarity NPC280532
0.6897 Remote Similarity NPC302188
0.6889 Remote Similarity NPC177022
0.6885 Remote Similarity NPC241949
0.6885 Remote Similarity NPC477931
0.6885 Remote Similarity NPC268736
0.6885 Remote Similarity NPC42060
0.6875 Remote Similarity NPC236579
0.6875 Remote Similarity NPC203531
0.6875 Remote Similarity NPC289686
0.6863 Remote Similarity NPC180534
0.6833 Remote Similarity NPC314103
0.6809 Remote Similarity NPC165533
0.68 Remote Similarity NPC166287
0.6792 Remote Similarity NPC470410
0.6792 Remote Similarity NPC470412
0.6774 Remote Similarity NPC130459
0.6774 Remote Similarity NPC41542
0.6774 Remote Similarity NPC474221
0.6774 Remote Similarity NPC476626
0.6774 Remote Similarity NPC286842
0.6774 Remote Similarity NPC478180
0.6774 Remote Similarity NPC472875
0.6744 Remote Similarity NPC328710
0.6744 Remote Similarity NPC18224
0.6739 Remote Similarity NPC316546
0.6739 Remote Similarity NPC325454
0.6739 Remote Similarity NPC38930
0.6739 Remote Similarity NPC223315
0.6735 Remote Similarity NPC76051
0.6731 Remote Similarity NPC26253
0.6727 Remote Similarity NPC87394
0.6724 Remote Similarity NPC472019
0.6724 Remote Similarity NPC472020
0.6724 Remote Similarity NPC226602
0.6667 Remote Similarity NPC281203
0.6667 Remote Similarity NPC328441
0.6667 Remote Similarity NPC319279
0.6667 Remote Similarity NPC281245
0.6667 Remote Similarity NPC469724
0.6667 Remote Similarity NPC36616
0.6667 Remote Similarity NPC319007
0.6667 Remote Similarity NPC100917
0.6667 Remote Similarity NPC470956
0.6667 Remote Similarity NPC476629
0.6667 Remote Similarity NPC476614
0.6667 Remote Similarity NPC31187
0.6667 Remote Similarity NPC82315
0.6667 Remote Similarity NPC290445
0.661 Remote Similarity NPC472021
0.661 Remote Similarity NPC40206
0.661 Remote Similarity NPC472328
0.661 Remote Similarity NPC478126
0.6604 Remote Similarity NPC50457
0.66 Remote Similarity NPC469781
0.66 Remote Similarity NPC287231
0.66 Remote Similarity NPC47363
0.6596 Remote Similarity NPC221022
0.6596 Remote Similarity NPC141634
0.6596 Remote Similarity NPC81263
0.6562 Remote Similarity NPC252032
0.6562 Remote Similarity NPC67608
0.6562 Remote Similarity NPC196197
0.6562 Remote Similarity NPC476734
0.6562 Remote Similarity NPC469941
0.6562 Remote Similarity NPC319671
0.6562 Remote Similarity NPC64466
0.6562 Remote Similarity NPC98711
0.6562 Remote Similarity NPC474962
0.6552 Remote Similarity NPC329819
0.6545 Remote Similarity NPC36061
0.6545 Remote Similarity NPC1813
0.6545 Remote Similarity NPC139029
0.6545 Remote Similarity NPC294548
0.6531 Remote Similarity NPC18397
0.6522 Remote Similarity NPC109026
0.6522 Remote Similarity NPC69245
0.6522 Remote Similarity NPC14608
0.6522 Remote Similarity NPC158179
0.6508 Remote Similarity NPC469925
0.6508 Remote Similarity NPC60120
0.65 Remote Similarity NPC306750
0.6481 Remote Similarity NPC100096
0.6471 Remote Similarity NPC63182
0.6471 Remote Similarity NPC52700
0.6471 Remote Similarity NPC145045
0.6471 Remote Similarity NPC105329
0.6462 Remote Similarity NPC470268
0.6462 Remote Similarity NPC18543
0.6462 Remote Similarity NPC235586
0.6462 Remote Similarity NPC108131
0.6462 Remote Similarity NPC91369
0.6462 Remote Similarity NPC477850
0.6462 Remote Similarity NPC477929
0.6458 Remote Similarity NPC215118
0.6458 Remote Similarity NPC45270
0.6458 Remote Similarity NPC135077
0.6458 Remote Similarity NPC59570
0.6444 Remote Similarity NPC317203
0.6429 Remote Similarity NPC151140
0.6429 Remote Similarity NPC53463
0.6429 Remote Similarity NPC424
0.6429 Remote Similarity NPC281972
0.6429 Remote Similarity NPC469937
0.6429 Remote Similarity NPC122768
0.6429 Remote Similarity NPC32467
0.6429 Remote Similarity NPC23155

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC314679 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
1.0 High Similarity NPD634 Phase 3
0.875 High Similarity NPD3186 Phase 1
0.8571 High Similarity NPD77 Approved
0.8571 High Similarity NPD9448 Phase 2
0.8571 High Similarity NPD633 Phase 3
0.8571 High Similarity NPD9450 Approved
0.8409 Intermediate Similarity NPD387 Clinical (unspecified phase)
0.84 Intermediate Similarity NPD615 Clinical (unspecified phase)
0.8182 Intermediate Similarity NPD2270 Approved
0.814 Intermediate Similarity NPD9655 Approved
0.8095 Intermediate Similarity NPD9449 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD3729 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD3199 Clinical (unspecified phase)
0.7636 Intermediate Similarity NPD3198 Approved
0.7619 Intermediate Similarity NPD9447 Approved
0.7556 Intermediate Similarity NPD9635 Discontinued
0.75 Intermediate Similarity NPD3206 Approved
0.7451 Intermediate Similarity NPD9638 Phase 2
0.7119 Intermediate Similarity NPD7909 Approved
0.7069 Intermediate Similarity NPD9676 Phase 3
0.6897 Remote Similarity NPD9656 Approved
0.6885 Remote Similarity NPD4224 Phase 2
0.6863 Remote Similarity NPD622 Approved
0.6863 Remote Similarity NPD2266 Phase 2
0.68 Remote Similarity NPD9430 Approved
0.68 Remote Similarity NPD9431 Approved
0.6667 Remote Similarity NPD9438 Approved
0.6667 Remote Similarity NPD9439 Approved
0.6613 Remote Similarity NPD375 Phase 2
0.6607 Remote Similarity NPD9454 Approved
0.66 Remote Similarity NPD2699 Approved
0.6545 Remote Similarity NPD3172 Approved
0.6429 Remote Similarity NPD3728 Approved
0.6429 Remote Similarity NPD4266 Approved
0.6429 Remote Similarity NPD3194 Approved
0.6429 Remote Similarity NPD3195 Phase 2
0.6429 Remote Similarity NPD3196 Approved
0.6429 Remote Similarity NPD3730 Approved
0.6383 Remote Similarity NPD9513 Phase 1
0.6364 Remote Similarity NPD6081 Approved
0.619 Remote Similarity NPD3171 Clinical (unspecified phase)
0.619 Remote Similarity NPD7341 Phase 2
0.6176 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6154 Remote Similarity NPD388 Approved
0.6154 Remote Similarity NPD386 Approved
0.6087 Remote Similarity NPD2257 Approved
0.6087 Remote Similarity NPD3702 Approved
0.6 Remote Similarity NPD6117 Approved
0.5926 Remote Similarity NPD6125 Clinical (unspecified phase)
0.5915 Remote Similarity NPD6116 Phase 1
0.5909 Remote Similarity NPD5360 Phase 3
0.5909 Remote Similarity NPD5361 Clinical (unspecified phase)
0.5893 Remote Similarity NPD28 Approved
0.5893 Remote Similarity NPD29 Approved
0.5882 Remote Similarity NPD1462 Approved
0.587 Remote Similarity NPD8857 Approved
0.5846 Remote Similarity NPD7331 Phase 2
0.5846 Remote Similarity NPD9421 Phase 1
0.5833 Remote Similarity NPD6115 Approved
0.5833 Remote Similarity NPD4802 Phase 2
0.5833 Remote Similarity NPD6118 Approved
0.5833 Remote Similarity NPD4238 Approved
0.5833 Remote Similarity NPD6697 Approved
0.5833 Remote Similarity NPD6114 Approved
0.5821 Remote Similarity NPD3700 Clinical (unspecified phase)
0.5821 Remote Similarity NPD3726 Approved
0.5821 Remote Similarity NPD3725 Approved
0.5821 Remote Similarity NPD3699 Clinical (unspecified phase)
0.5821 Remote Similarity NPD3698 Phase 2
0.5818 Remote Similarity NPD3173 Approved
0.58 Remote Similarity NPD1460 Approved
0.5769 Remote Similarity NPD8975 Clinical (unspecified phase)
0.5741 Remote Similarity NPD384 Approved
0.5741 Remote Similarity NPD344 Approved
0.5741 Remote Similarity NPD345 Approved
0.5741 Remote Similarity NPD343 Approved
0.5741 Remote Similarity NPD385 Approved
0.5735 Remote Similarity NPD4789 Approved
0.5735 Remote Similarity NPD4245 Approved
0.5735 Remote Similarity NPD4244 Approved
0.5714 Remote Similarity NPD632 Discontinued
0.5686 Remote Similarity NPD9116 Phase 1
0.5676 Remote Similarity NPD5368 Approved
0.566 Remote Similarity NPD8974 Clinical (unspecified phase)
0.5652 Remote Similarity NPD4758 Discontinued
0.5652 Remote Similarity NPD4809 Clinical (unspecified phase)
0.5652 Remote Similarity NPD4808 Clinical (unspecified phase)
0.5652 Remote Similarity NPD5777 Approved
0.5616 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5616 Remote Similarity NPD617 Approved
0.5614 Remote Similarity NPD9441 Phase 2
0.56 Remote Similarity NPD5369 Approved
0.56 Remote Similarity NPD857 Phase 3

Structure

External Identifiers

PubChem CID   21672
ChEMBL   CHEMBL495852
ZINC  

Physicochemical Properties

Molecular Weight:  242.22
ALogP:  -2.3567
MLogP:  2.89
XLogP:  6.94
# Rotatable Bonds:  15
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  17

Download Data

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