Natural Product: NPC81989

Natural Product ID:  NPC81989
Common Name:   1-Penten-3-Ol
IUPAC Name:   pent-1-en-3-ol
Synonyms:  
Molecular Formula:   C5H10O
Standard InCHIKey:  VHVMXWZXFBOANQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3
Canonical SMILES:  CCC(C=C)O
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
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[21386183]
NPO20898 Agaricus bisporus Species Agaricaceae Eukaryota TCM_Taiwan*
NPO25426 Arachis hypogaea Species Fabaceae Eukaryota HerDing*
NPO26657 Conocephalum conicum Species Conocephalaceae Eukaryota TCM_Taiwan*
NPO30171 Lentinus edodes Species Lentinaceae Eukaryota TCM_Taiwan*
NPO31270 Laminaria japonica Species Laminariaceae Eukaryota TCM_Taiwan*
NPO7173 Armillaria matsutake Species Physalacriaceae Eukaryota TCM_Taiwan*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*
NPO16501 Capsicum annuum Species Solanaceae Eukaryota TM-MC*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota TM-MC*
NPO25426 Arachis hypogaea Species Fabaceae Eukaryota TCMID*
NPO26429 Capsella bursa-pastoris Species Brassicaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT563 Organism Escherichia coli O157:H7 Escherichia coli O157:H7 GI = 0 % 14969531
NPT16 Organism Staphylococcus aureus Staphylococcus aureus GI = 2.4 % 14969531
NPT564 Organism Listeria monocytogenes Listeria monocytogenes GI = 0.4 % 14969531
NPT565 Organism Vibrio parahaemolyticus Vibrio parahaemolyticus GI = 1.9 % 14969531
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium GI = 5 % 14969531
NPT314 Organism Bacillus cereus Bacillus cereus GI = 9.3 % 14969531

  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 NPC81989 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
0.9394 High Similarity NPC79544
0.8 Intermediate Similarity NPC58957
0.7949 Intermediate Similarity NPC46248
0.7949 Intermediate Similarity NPC249801
0.7714 Intermediate Similarity NPC250734
0.7632 Intermediate Similarity NPC306850
0.7429 Intermediate Similarity NPC63121
0.7429 Intermediate Similarity NPC197356
0.7179 Intermediate Similarity NPC15934
0.7097 Intermediate Similarity NPC306009
0.6923 Remote Similarity NPC40434
0.6923 Remote Similarity NPC34873
0.6889 Remote Similarity NPC153538
0.6857 Remote Similarity NPC242117
0.6857 Remote Similarity NPC28077
0.6818 Remote Similarity NPC19834
0.6818 Remote Similarity NPC55063
0.675 Remote Similarity NPC255042
0.675 Remote Similarity NPC182840
0.675 Remote Similarity NPC103213
0.675 Remote Similarity NPC29091
0.6744 Remote Similarity NPC101616
0.6739 Remote Similarity NPC328784
0.6739 Remote Similarity NPC72699
0.6739 Remote Similarity NPC291437
0.6667 Remote Similarity NPC206906
0.6667 Remote Similarity NPC304151
0.6667 Remote Similarity NPC174396
0.6596 Remote Similarity NPC151782
0.6596 Remote Similarity NPC59408
0.6596 Remote Similarity NPC93639
0.6596 Remote Similarity NPC71053
0.6585 Remote Similarity NPC56917
0.6522 Remote Similarity NPC248884
0.6522 Remote Similarity NPC85079
0.6522 Remote Similarity NPC31194
0.6512 Remote Similarity NPC116934
0.6458 Remote Similarity NPC35756
0.6452 Remote Similarity NPC299484
0.6444 Remote Similarity NPC35141
0.6444 Remote Similarity NPC124183
0.6429 Remote Similarity NPC269823
0.641 Remote Similarity NPC213767
0.6383 Remote Similarity NPC473913
0.6383 Remote Similarity NPC249670
0.6383 Remote Similarity NPC474642
0.6383 Remote Similarity NPC474460
0.6364 Remote Similarity NPC138935
0.6279 Remote Similarity NPC194586
0.6279 Remote Similarity NPC180871
0.6279 Remote Similarity NPC88079
0.6279 Remote Similarity NPC256766
0.6279 Remote Similarity NPC213538
0.6279 Remote Similarity NPC67761
0.6279 Remote Similarity NPC209279
0.6279 Remote Similarity NPC68889
0.6279 Remote Similarity NPC108494
0.6279 Remote Similarity NPC51758
0.625 Remote Similarity NPC473672
0.625 Remote Similarity NPC474495
0.625 Remote Similarity NPC200772
0.625 Remote Similarity NPC216416
0.625 Remote Similarity NPC39977
0.6222 Remote Similarity NPC160628
0.6222 Remote Similarity NPC269074
0.6222 Remote Similarity NPC140501
0.62 Remote Similarity NPC49059
0.62 Remote Similarity NPC256209
0.62 Remote Similarity NPC110732
0.617 Remote Similarity NPC302310
0.617 Remote Similarity NPC471275
0.617 Remote Similarity NPC471276
0.617 Remote Similarity NPC267110
0.617 Remote Similarity NPC471280
0.617 Remote Similarity NPC125122
0.6136 Remote Similarity NPC252978
0.6122 Remote Similarity NPC142092
0.6087 Remote Similarity NPC157096
0.6087 Remote Similarity NPC180575
0.6078 Remote Similarity NPC227135
0.6078 Remote Similarity NPC317899
0.6061 Remote Similarity NPC245688
0.6042 Remote Similarity NPC477727
0.6042 Remote Similarity NPC471281
0.6042 Remote Similarity NPC475071
0.6042 Remote Similarity NPC199286
0.6042 Remote Similarity NPC473487
0.6 Remote Similarity NPC474496
0.6 Remote Similarity NPC108195
0.6 Remote Similarity NPC217188
0.5962 Remote Similarity NPC324224
0.5962 Remote Similarity NPC472808
0.5918 Remote Similarity NPC477723
0.5918 Remote Similarity NPC329608
0.5918 Remote Similarity NPC165447
0.5918 Remote Similarity NPC55383
0.5918 Remote Similarity NPC29234
0.5918 Remote Similarity NPC256656
0.5918 Remote Similarity NPC89824
0.5918 Remote Similarity NPC170776
0.5918 Remote Similarity NPC294278
0.5918 Remote Similarity NPC475477
0.5918 Remote Similarity NPC9273
0.5918 Remote Similarity NPC197272
0.5918 Remote Similarity NPC76198
0.5918 Remote Similarity NPC224148
0.5918 Remote Similarity NPC471959
0.5882 Remote Similarity NPC232554
0.5882 Remote Similarity NPC140389
0.5882 Remote Similarity NPC473532
0.5882 Remote Similarity NPC88887
0.5882 Remote Similarity NPC190797
0.587 Remote Similarity NPC76976
0.587 Remote Similarity NPC276825
0.5849 Remote Similarity NPC472445
0.5849 Remote Similarity NPC71755
0.5833 Remote Similarity NPC475153
0.5814 Remote Similarity NPC103236
0.5814 Remote Similarity NPC329762
0.5814 Remote Similarity NPC27444
0.5806 Remote Similarity NPC163707
0.5806 Remote Similarity NPC225855
0.58 Remote Similarity NPC473705
0.5778 Remote Similarity NPC269862
0.5769 Remote Similarity NPC477726
0.5769 Remote Similarity NPC477725
0.5769 Remote Similarity NPC251666
0.5769 Remote Similarity NPC474644
0.5769 Remote Similarity NPC475353
0.5769 Remote Similarity NPC473735
0.5769 Remote Similarity NPC473725
0.5769 Remote Similarity NPC473721
0.5769 Remote Similarity NPC232247
0.5769 Remote Similarity NPC329686
0.5769 Remote Similarity NPC473896
0.5769 Remote Similarity NPC473910
0.5741 Remote Similarity NPC181872
0.5714 Remote Similarity NPC473768
0.5714 Remote Similarity NPC288381
0.5714 Remote Similarity NPC225974
0.5714 Remote Similarity NPC560
0.5714 Remote Similarity NPC20934
0.5686 Remote Similarity NPC61177
0.5682 Remote Similarity NPC221250
0.5676 Remote Similarity NPC155900
0.566 Remote Similarity NPC475384
0.566 Remote Similarity NPC470969
0.566 Remote Similarity NPC473847
0.566 Remote Similarity NPC474643
0.566 Remote Similarity NPC161838
0.566 Remote Similarity NPC470967
0.566 Remote Similarity NPC473865
0.566 Remote Similarity NPC48891
0.566 Remote Similarity NPC470968
0.566 Remote Similarity NPC477661
0.566 Remote Similarity NPC471960
0.566 Remote Similarity NPC470966
0.5636 Remote Similarity NPC322186
0.5636 Remote Similarity NPC302564
0.5636 Remote Similarity NPC97570
0.5636 Remote Similarity NPC322002
0.5636 Remote Similarity NPC318306
0.5625 Remote Similarity NPC294703
0.5625 Remote Similarity NPC178306
0.561 Remote Similarity NPC75204
0.56 Remote Similarity NPC244038
0.56 Remote Similarity NPC129263

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC81989 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
0.6222 Remote Similarity NPD4265 Approved
0.6047 Remote Similarity NPD9301 Approved
0.6047 Remote Similarity NPD9300 Approved
0.5806 Remote Similarity NPD8224 Approved
0.5741 Remote Similarity NPD585 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   12020
ChEMBL   CHEMBL2269086
ZINC  

Physicochemical Properties

Molecular Weight:  86.07
ALogP:  -0.0399
MLogP:  1.9
XLogP:  1
# Rotatable Bonds:  4
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  6

Download Data

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