Natural Product: NPC24506

Natural Product ID:  NPC24506
Common Name:   Decanol
IUPAC Name:   decan-1-ol
Synonyms:   1-Decanol
Molecular Formula:   C10H22O
Standard InCHIKey:  MWKFXSUHUHTGQN-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
Canonical SMILES:  CCCCCCCCCCO
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
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TCMSP*
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*
NPO15315 Boswellia carterii Species Burseraceae Eukaryota TM-MC*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TM-MC*
NPO10082 Citrus unshiu Species Rutaceae Eukaryota TM-MC*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TM-MC*
NPO26650 Terminalia chebula Species Combretaceae Eukaryota TM-MC*
NPO18676 Clerodendrum trichotomum Species Lamiaceae Eukaryota TCMID*
NPO19755 Artemisia anomala Species Asteraceae Eukaryota TCMID*
NPO27645 Fructus galangae NA NA NA TCMID*
NPO201 Gmelina arborea Species Lamiaceae Eukaryota TCMID*
NPO22230 Rhodiola crenulata Species Crassulaceae Eukaryota TCMID*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TCM_Taiwan*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[17314143]
NPO29720 Dianthi herba NA NA NA TCMSP*
NPO24758 Angelica dahurica Species Apiaceae Eukaryota TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 50 ug/ml 10.1016/S0960-894X(00)80336-4
NPT167 Organism Propionibacterium acnes Propionibacterium acnes MIC = 25 ug/ml 10.1016/S0960-894X(00)80336-4
NPT167 Organism Propionibacterium acnes Propionibacterium acnes MIC = 25 ug/ml 8158169
NPT167 Organism Propionibacterium acnes Propionibacterium acnes MBC = 50 ug/ml 8158169
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 128 ug/ml 19470513
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens Potency 3.5 nM PubChem BioAssay data set
NPT158 Individual Protein Nuclear receptor subfamily 1 group I member 2 Rattus norvegicus Potency 70794.6 nM PubChem BioAssay data set
NPT562 Organism Colletotrichum gloeosporioides Colletotrichum gloeosporioides EC50 = 112 ug/ml 12926880
NPT562 Organism Colletotrichum gloeosporioides Colletotrichum gloeosporioides EC50 = 707945.78 nM 12926880
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MFC = 50 ug/ml 12083872
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MIC = 50 ug/ml 12083872
NPT2 Others Unspecified Potency 2438.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1412537.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9688.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 34376.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Ki = 169824.37 nM 722729
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 32 ug/ml 26191368
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 256 ug/ml 26191368

  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 NPC24506 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
1.0 High Similarity NPC112242
1.0 High Similarity NPC147096
1.0 High Similarity NPC225783
1.0 High Similarity NPC185041
1.0 High Similarity NPC236797
1.0 High Similarity NPC163556
0.9655 High Similarity NPC126915
0.9333 High Similarity NPC185538
0.9333 High Similarity NPC319034
0.9333 High Similarity NPC1748
0.9333 High Similarity NPC193062
0.9333 High Similarity NPC139131
0.9333 High Similarity NPC291158
0.9333 High Similarity NPC181516
0.9333 High Similarity NPC205141
0.9333 High Similarity NPC72324
0.9333 High Similarity NPC66124
0.9333 High Similarity NPC272998
0.9286 High Similarity NPC279895
0.9 High Similarity NPC267243
0.9 High Similarity NPC122962
0.875 High Similarity NPC97967
0.871 High Similarity NPC152759
0.871 High Similarity NPC12231
0.8485 Intermediate Similarity NPC474392
0.8485 Intermediate Similarity NPC474914
0.8333 Intermediate Similarity NPC110884
0.8235 Intermediate Similarity NPC74352
0.8235 Intermediate Similarity NPC177022
0.8214 Intermediate Similarity NPC275462
0.8 Intermediate Similarity NPC159845
0.7879 Intermediate Similarity NPC283682
0.7778 Intermediate Similarity NPC221022
0.7586 Intermediate Similarity NPC213764
0.75 Intermediate Similarity NPC52403
0.75 Intermediate Similarity NPC197039
0.7419 Intermediate Similarity NPC223195
0.7333 Intermediate Similarity NPC560
0.7297 Intermediate Similarity NPC471282
0.7273 Intermediate Similarity NPC272426
0.7105 Intermediate Similarity NPC160261
0.7105 Intermediate Similarity NPC152008
0.7105 Intermediate Similarity NPC469759
0.7 Intermediate Similarity NPC76051
0.7 Intermediate Similarity NPC232554
0.7 Intermediate Similarity NPC252978
0.6944 Remote Similarity NPC61665
0.6875 Remote Similarity NPC325345
0.6857 Remote Similarity NPC474120
0.6857 Remote Similarity NPC139569
0.6857 Remote Similarity NPC474089
0.6829 Remote Similarity NPC62014
0.6829 Remote Similarity NPC215358
0.6829 Remote Similarity NPC469781
0.6786 Remote Similarity NPC294703
0.6757 Remote Similarity NPC277333
0.6667 Remote Similarity NPC196442
0.6667 Remote Similarity NPC223374
0.6667 Remote Similarity NPC76976
0.6667 Remote Similarity NPC473914
0.6667 Remote Similarity NPC199270
0.6667 Remote Similarity NPC301398
0.6667 Remote Similarity NPC30195
0.6667 Remote Similarity NPC86545
0.6667 Remote Similarity NPC87439
0.6667 Remote Similarity NPC245688
0.6667 Remote Similarity NPC12438
0.6585 Remote Similarity NPC144891
0.6571 Remote Similarity NPC147054
0.6562 Remote Similarity NPC276332
0.6562 Remote Similarity NPC39869
0.6512 Remote Similarity NPC328497
0.6512 Remote Similarity NPC147343
0.6512 Remote Similarity NPC289484
0.6512 Remote Similarity NPC198540
0.6512 Remote Similarity NPC319709
0.6512 Remote Similarity NPC287550
0.6512 Remote Similarity NPC84030
0.6512 Remote Similarity NPC324004
0.6512 Remote Similarity NPC176309
0.6512 Remote Similarity NPC223468
0.6512 Remote Similarity NPC8597
0.6486 Remote Similarity NPC328441
0.6429 Remote Similarity NPC240994
0.641 Remote Similarity NPC201844
0.641 Remote Similarity NPC154186
0.641 Remote Similarity NPC31557
0.641 Remote Similarity NPC261080
0.641 Remote Similarity NPC14227
0.641 Remote Similarity NPC113928
0.641 Remote Similarity NPC28394
0.641 Remote Similarity NPC301696
0.641 Remote Similarity NPC279026
0.641 Remote Similarity NPC301585
0.6389 Remote Similarity NPC286498
0.6364 Remote Similarity NPC106872
0.6364 Remote Similarity NPC200618
0.6364 Remote Similarity NPC121062
0.6364 Remote Similarity NPC29222
0.6364 Remote Similarity NPC131770
0.6364 Remote Similarity NPC96966
0.6341 Remote Similarity NPC249801
0.6341 Remote Similarity NPC46248
0.6333 Remote Similarity NPC39977
0.6316 Remote Similarity NPC128996
0.625 Remote Similarity NPC252154
0.6222 Remote Similarity NPC304162
0.6154 Remote Similarity NPC469712
0.6154 Remote Similarity NPC469714
0.6154 Remote Similarity NPC473568
0.6129 Remote Similarity NPC256186
0.6129 Remote Similarity NPC23071
0.6098 Remote Similarity NPC149184
0.6098 Remote Similarity NPC307783
0.6098 Remote Similarity NPC216630
0.6098 Remote Similarity NPC196924
0.6098 Remote Similarity NPC171736
0.6098 Remote Similarity NPC241279
0.6098 Remote Similarity NPC209970
0.6098 Remote Similarity NPC474361
0.6087 Remote Similarity NPC90904
0.6071 Remote Similarity NPC311000
0.6053 Remote Similarity NPC80641
0.6 Remote Similarity NPC219266
0.6 Remote Similarity NPC314087
0.6 Remote Similarity NPC299484
0.6 Remote Similarity NPC118968
0.6 Remote Similarity NPC214610
0.6 Remote Similarity NPC183424
0.6 Remote Similarity NPC110344
0.6 Remote Similarity NPC88839
0.6 Remote Similarity NPC294085
0.5952 Remote Similarity NPC67462
0.5938 Remote Similarity NPC88887
0.5882 Remote Similarity NPC238135
0.5882 Remote Similarity NPC52362
0.587 Remote Similarity NPC26253
0.5854 Remote Similarity NPC149299
0.5854 Remote Similarity NPC250028
0.5854 Remote Similarity NPC256163
0.5854 Remote Similarity NPC40597
0.5833 Remote Similarity NPC474322
0.5833 Remote Similarity NPC123814
0.5833 Remote Similarity NPC40965
0.5814 Remote Similarity NPC19305
0.5814 Remote Similarity NPC74845
0.5814 Remote Similarity NPC255837
0.5789 Remote Similarity NPC293908
0.5789 Remote Similarity NPC192065
0.5789 Remote Similarity NPC325034
0.5789 Remote Similarity NPC66052
0.5789 Remote Similarity NPC86412
0.5789 Remote Similarity NPC317203
0.5758 Remote Similarity NPC474048
0.575 Remote Similarity NPC54980
0.575 Remote Similarity NPC201622
0.575 Remote Similarity NPC34873
0.575 Remote Similarity NPC22903
0.575 Remote Similarity NPC40434
0.575 Remote Similarity NPC305660
0.575 Remote Similarity NPC268826
0.5714 Remote Similarity NPC270041
0.5714 Remote Similarity NPC163746
0.5714 Remote Similarity NPC161473
0.5714 Remote Similarity NPC53541
0.5714 Remote Similarity NPC103286
0.5682 Remote Similarity NPC108195
0.5682 Remote Similarity NPC8219
0.5682 Remote Similarity NPC55023
0.5676 Remote Similarity NPC322892
0.5667 Remote Similarity NPC61373
0.5641 Remote Similarity NPC155263
0.5625 Remote Similarity NPC100096
0.5625 Remote Similarity NPC307022
0.5625 Remote Similarity NPC129263
0.5625 Remote Similarity NPC87529
0.5625 Remote Similarity NPC94144
0.561 Remote Similarity NPC219536
0.561 Remote Similarity NPC223249
0.561 Remote Similarity NPC31551
0.561 Remote Similarity NPC80234
0.56 Remote Similarity NPC256209
0.56 Remote Similarity NPC23155
0.56 Remote Similarity NPC289979
0.56 Remote Similarity NPC53463
0.56 Remote Similarity NPC49059
0.56 Remote Similarity NPC286752
0.56 Remote Similarity NPC471442
0.56 Remote Similarity NPC469937
0.56 Remote Similarity NPC471423
0.56 Remote Similarity NPC320588
0.56 Remote Similarity NPC53209

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC24506 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
0.9333 High Similarity NPD2272 Approved
0.9333 High Similarity NPD5383 Approved
0.7273 Intermediate Similarity NPD908 Approved
0.7273 Intermediate Similarity NPD907 Approved
0.7273 Intermediate Similarity NPD1461 Approved
0.7105 Intermediate Similarity NPD7536 Approved
0.6875 Remote Similarity NPD8988 Clinical (unspecified phase)
0.6512 Remote Similarity NPD385 Approved
0.6512 Remote Similarity NPD384 Approved
0.6512 Remote Similarity NPD3211 Approved
0.641 Remote Similarity NPD9448 Phase 2
0.641 Remote Similarity NPD633 Phase 3
0.6279 Remote Similarity NPD1152 Phase 2
0.6098 Remote Similarity NPD2270 Approved
0.6087 Remote Similarity NPD3214 Discontinued
0.6071 Remote Similarity NPD8223 Approved
0.6 Remote Similarity NPD9655 Approved
0.6 Remote Similarity NPD5799 Discontinued
0.5952 Remote Similarity NPD1462 Approved
0.5854 Remote Similarity NPD1460 Approved
0.5833 Remote Similarity NPD3215 Phase 1
0.5789 Remote Similarity NPD9051 Approved
0.5789 Remote Similarity NPD9053 Approved
0.5789 Remote Similarity NPD9052 Approved
0.5682 Remote Similarity NPD3199 Clinical (unspecified phase)
0.56 Remote Similarity NPD3730 Approved
0.56 Remote Similarity NPD3728 Approved
0.56 Remote Similarity NPD3729 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   8174
ChEMBL   CHEMBL25363
ZINC  

Physicochemical Properties

Molecular Weight:  158.17
ALogP:  -2.7014
MLogP:  2.45
XLogP:  4.265
# Rotatable Bonds:  10
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  11

Download Data

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