Natural Product: NPC126915

Natural Product ID:  NPC126915
Common Name:   Pentadecan-1-Ol
IUPAC Name:   pentadecan-1-ol
Synonyms:   1-Pentadecanol; Pentadecan-1-Ol
Molecular Formula:   C15H32O
Standard InCHIKey:  REIUXOLGHVXAEO-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
Canonical SMILES:  CCCCCCCCCCCCCCCO
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
NPO11146 Cinnamomum micranthum Species Lauraceae Eukaryota UNPD*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TCM_Taiwan*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TCM_Taiwan*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[24029555]
NPO31073 Ligusticum chuanxiong Species Apiaceae Eukaryota HerDing*
NPO6538 Leptolobium panamense Species Fabaceae Eukaryota UNPD*
NPO11997 Leucophyllum ambiguum Species Scrophulariaceae Eukaryota UNPD*
NPO15835 Glycyrrhiza Species Fabaceae Eukaryota TCMSP*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO29438 Radix chuanxiong Species Lymnaeidae Eukaryota TCMID*
NPO22834 Rhizoma chuanxiong NA NA NA TCMID*
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 800 ug/ml 10.1016/S0960-894X(00)80336-4
NPT167 Organism Propionibacterium acnes Propionibacterium acnes MIC = 0.78 ug/ml 10.1016/S0960-894X(00)80336-4
NPT167 Organism Propionibacterium acnes Propionibacterium acnes MIC = 0.78 ug/ml 8158169
NPT167 Organism Propionibacterium acnes Propionibacterium acnes MBC = 1.56 ug/ml 8158169
NPT167 Organism Propionibacterium acnes Propionibacterium acnes Activity > 2 8158169
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 62173.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21689.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 49385.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 977 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22059.9 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 NPC126915 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
0.9667 High Similarity NPC272998
0.9667 High Similarity NPC205141
0.9667 High Similarity NPC291158
0.9667 High Similarity NPC185538
0.9667 High Similarity NPC181516
0.9667 High Similarity NPC139131
0.9655 High Similarity NPC163556
0.9655 High Similarity NPC185041
0.9655 High Similarity NPC112242
0.9655 High Similarity NPC24506
0.9655 High Similarity NPC147096
0.9655 High Similarity NPC225783
0.9655 High Similarity NPC236797
0.9062 High Similarity NPC97967
0.9032 High Similarity NPC152759
0.9032 High Similarity NPC193062
0.9032 High Similarity NPC72324
0.9032 High Similarity NPC12231
0.9032 High Similarity NPC1748
0.9032 High Similarity NPC66124
0.9032 High Similarity NPC319034
0.8966 High Similarity NPC279895
0.8788 High Similarity NPC474914
0.8788 High Similarity NPC474392
0.871 High Similarity NPC267243
0.871 High Similarity NPC122962
0.8529 High Similarity NPC74352
0.8065 Intermediate Similarity NPC110884
0.8056 Intermediate Similarity NPC221022
0.8 Intermediate Similarity NPC177022
0.7931 Intermediate Similarity NPC275462
0.7778 Intermediate Similarity NPC197039
0.7742 Intermediate Similarity NPC159845
0.7647 Intermediate Similarity NPC283682
0.7568 Intermediate Similarity NPC471282
0.7368 Intermediate Similarity NPC160261
0.7368 Intermediate Similarity NPC469759
0.7368 Intermediate Similarity NPC152008
0.7333 Intermediate Similarity NPC213764
0.7241 Intermediate Similarity NPC52403
0.7188 Intermediate Similarity NPC223195
0.7143 Intermediate Similarity NPC474120
0.7143 Intermediate Similarity NPC474089
0.7143 Intermediate Similarity NPC139569
0.7097 Intermediate Similarity NPC560
0.7073 Intermediate Similarity NPC469781
0.7073 Intermediate Similarity NPC215358
0.7059 Intermediate Similarity NPC272426
0.6905 Remote Similarity NPC473914
0.6905 Remote Similarity NPC76976
0.6905 Remote Similarity NPC30195
0.6905 Remote Similarity NPC12438
0.6829 Remote Similarity NPC252978
0.6829 Remote Similarity NPC76051
0.6774 Remote Similarity NPC232554
0.6757 Remote Similarity NPC61665
0.6744 Remote Similarity NPC289484
0.6744 Remote Similarity NPC319709
0.6744 Remote Similarity NPC328497
0.6744 Remote Similarity NPC324004
0.6667 Remote Similarity NPC28394
0.6667 Remote Similarity NPC31557
0.6667 Remote Similarity NPC325345
0.6667 Remote Similarity NPC62014
0.6591 Remote Similarity NPC106872
0.6579 Remote Similarity NPC128996
0.6579 Remote Similarity NPC277333
0.6552 Remote Similarity NPC294703
0.6512 Remote Similarity NPC87439
0.6486 Remote Similarity NPC301398
0.6486 Remote Similarity NPC223374
0.6486 Remote Similarity NPC196442
0.6486 Remote Similarity NPC86545
0.6452 Remote Similarity NPC245688
0.6452 Remote Similarity NPC199270
0.6429 Remote Similarity NPC144891
0.6389 Remote Similarity NPC147054
0.6364 Remote Similarity NPC287550
0.6364 Remote Similarity NPC198540
0.6364 Remote Similarity NPC8597
0.6364 Remote Similarity NPC176309
0.6364 Remote Similarity NPC39869
0.6364 Remote Similarity NPC223468
0.6364 Remote Similarity NPC84030
0.6364 Remote Similarity NPC147343
0.6364 Remote Similarity NPC276332
0.6341 Remote Similarity NPC307783
0.6341 Remote Similarity NPC209970
0.6341 Remote Similarity NPC149184
0.6341 Remote Similarity NPC171736
0.6341 Remote Similarity NPC216630
0.6341 Remote Similarity NPC241279
0.6341 Remote Similarity NPC196924
0.6316 Remote Similarity NPC328441
0.6304 Remote Similarity NPC90904
0.6279 Remote Similarity NPC240994
0.625 Remote Similarity NPC301696
0.625 Remote Similarity NPC279026
0.625 Remote Similarity NPC301585
0.625 Remote Similarity NPC201844
0.625 Remote Similarity NPC261080
0.625 Remote Similarity NPC113928
0.625 Remote Similarity NPC14227
0.625 Remote Similarity NPC154186
0.6222 Remote Similarity NPC29222
0.6222 Remote Similarity NPC200618
0.6222 Remote Similarity NPC121062
0.6222 Remote Similarity NPC96966
0.6222 Remote Similarity NPC131770
0.6216 Remote Similarity NPC286498
0.619 Remote Similarity NPC67462
0.619 Remote Similarity NPC46248
0.619 Remote Similarity NPC249801
0.6129 Remote Similarity NPC39977
0.6087 Remote Similarity NPC26253
0.6087 Remote Similarity NPC304162
0.6061 Remote Similarity NPC252154
0.6047 Remote Similarity NPC74845
0.6042 Remote Similarity NPC474322
0.6042 Remote Similarity NPC123814
0.6 Remote Similarity NPC469712
0.6 Remote Similarity NPC469714
0.6 Remote Similarity NPC473568
0.5952 Remote Similarity NPC474361
0.5938 Remote Similarity NPC256186
0.5938 Remote Similarity NPC23071
0.5918 Remote Similarity NPC270041
0.5909 Remote Similarity NPC8219
0.5897 Remote Similarity NPC80641
0.587 Remote Similarity NPC314087
0.5862 Remote Similarity NPC311000
0.5854 Remote Similarity NPC183424
0.5854 Remote Similarity NPC214610
0.5854 Remote Similarity NPC118968
0.5854 Remote Similarity NPC294085
0.5814 Remote Similarity NPC71317
0.5814 Remote Similarity NPC474125
0.5814 Remote Similarity NPC474126
0.5814 Remote Similarity NPC129972
0.5814 Remote Similarity NPC236579
0.5814 Remote Similarity NPC203531
0.5814 Remote Similarity NPC301528
0.5806 Remote Similarity NPC88839
0.5806 Remote Similarity NPC299484
0.5806 Remote Similarity NPC110344
0.5806 Remote Similarity NPC219266
0.58 Remote Similarity NPC23155
0.58 Remote Similarity NPC289979
0.58 Remote Similarity NPC53463
0.58 Remote Similarity NPC469937
0.58 Remote Similarity NPC320588
0.5758 Remote Similarity NPC88887
0.5714 Remote Similarity NPC52362
0.5714 Remote Similarity NPC40597
0.5714 Remote Similarity NPC238135
0.5714 Remote Similarity NPC149299
0.5714 Remote Similarity NPC28598
0.5714 Remote Similarity NPC161097
0.5714 Remote Similarity NPC256163
0.5714 Remote Similarity NPC250028
0.5682 Remote Similarity NPC255837
0.5682 Remote Similarity NPC19305
0.5676 Remote Similarity NPC40965
0.5652 Remote Similarity NPC21844
0.5641 Remote Similarity NPC192065
0.5641 Remote Similarity NPC293908
0.5641 Remote Similarity NPC317203
0.5641 Remote Similarity NPC86412
0.5641 Remote Similarity NPC325034
0.5641 Remote Similarity NPC66052
0.561 Remote Similarity NPC34873
0.561 Remote Similarity NPC40434
0.561 Remote Similarity NPC201622
0.561 Remote Similarity NPC22903
0.561 Remote Similarity NPC305660
0.561 Remote Similarity NPC268826
0.561 Remote Similarity NPC54980
0.56 Remote Similarity NPC161473
0.56 Remote Similarity NPC474496
0.56 Remote Similarity NPC187361
0.56 Remote Similarity NPC477724
0.56 Remote Similarity NPC26102

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC126915 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
0.9667 High Similarity NPD2272 Approved
0.9667 High Similarity NPD5383 Approved
0.7368 Intermediate Similarity NPD7536 Approved
0.7059 Intermediate Similarity NPD907 Approved
0.7059 Intermediate Similarity NPD1461 Approved
0.7059 Intermediate Similarity NPD908 Approved
0.6744 Remote Similarity NPD3211 Approved
0.6667 Remote Similarity NPD8988 Clinical (unspecified phase)
0.6364 Remote Similarity NPD385 Approved
0.6364 Remote Similarity NPD384 Approved
0.6341 Remote Similarity NPD2270 Approved
0.6304 Remote Similarity NPD3214 Discontinued
0.625 Remote Similarity NPD9448 Phase 2
0.625 Remote Similarity NPD5799 Discontinued
0.625 Remote Similarity NPD633 Phase 3
0.6136 Remote Similarity NPD1152 Phase 2
0.6042 Remote Similarity NPD3215 Phase 1
0.5909 Remote Similarity NPD3199 Clinical (unspecified phase)
0.5862 Remote Similarity NPD8223 Approved
0.5854 Remote Similarity NPD9655 Approved
0.5814 Remote Similarity NPD1462 Approved
0.58 Remote Similarity NPD3730 Approved
0.58 Remote Similarity NPD3728 Approved
0.58 Remote Similarity NPD3729 Clinical (unspecified phase)
0.5714 Remote Similarity NPD1460 Approved
0.5641 Remote Similarity NPD9053 Approved
0.5641 Remote Similarity NPD9051 Approved
0.5641 Remote Similarity NPD9052 Approved
0.561 Remote Similarity NPD3206 Approved

Structure

External Identifiers

PubChem CID   12397
ChEMBL   CHEMBL26561
ZINC  

Physicochemical Properties

Molecular Weight:  228.25
ALogP:  -4.1414
MLogP:  3
XLogP:  7.11
# Rotatable Bonds:  15
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  16

Download Data

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