Natural Product: NPC163076

Natural Product ID:  NPC163076
Common Name:   Cyanide
IUPAC Name:   formonitrile
Synonyms:   Cyanide
Molecular Formula:   CHN
Standard InCHIKey:  LELOWRISYMNNSU-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/CHN/c1-2/h1H
Canonical SMILES:  C#N
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
NPO3340 Fridericia chica Species Bignoniaceae Eukaryota UNPD*
NPO30692 Prunus amygdalus Species Rosaceae Eukaryota TCM_Taiwan*
NPO31547 Chaenomeles lagenaria Species Rosaceae Eukaryota TCM_Taiwan*
NPO28864 Nauclea officinalis Species Rubiaceae Eukaryota UNPD*
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO29242 Salvia dorrii Species Lamiaceae Eukaryota UNPD*
NPO25981 Crinipellis scabella Species Marasmiaceae Eukaryota UNPD*
NPO29004 Ruta pinnata Species Rutaceae Eukaryota UNPD*
NPO29400 Conocephalum japonicum Species Conocephalaceae Eukaryota UNPD*
NPO29225 Oncoba echinata Species Salicaceae Eukaryota UNPD*
NPO29276 Juglans nigra Species Juglandaceae Eukaryota UNPD*
NPO27743 Aaptos aaptos Species Suberitidae Eukaryota UNPD*
NPO28918 Ophiolepis superba Species Ophiolepididae Eukaryota UNPD*
NPO29292 Teucrium depressum Species Lamiaceae Eukaryota UNPD*
NPO26192 Cordylanthus kingii Species Orobanchaceae Eukaryota UNPD*
NPO29488 Sophora angustifolia Species Fabaceae Eukaryota UNPD*
NPO29450 Streptomyces parvisporogenes Species Streptomycetaceae Bacteria UNPD*
NPO28845 Eragrostis viscosa Species Poaceae Eukaryota UNPD*
NPO1245 Eunicella cavolinii Species Gorgoniidae Eukaryota UNPD*
NPO13077 Amygdalus communis vas NA NA NA TCMSP*
NPO28971 Bersama yangambiensis Species Melianthaceae Eukaryota UNPD*
NPO9157 Rubrivivax gelatinosus Species NA Bacteria UNPD*
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota TCMID*
NPO29415 Hovenia acerba Species Rhamnaceae Eukaryota UNPD*
NPO18659 Prunus japonica Species Rosaceae Eukaryota TCMID*
NPO29142 Kaunia saltensis Species Asteraceae Eukaryota UNPD*
NPO6947 Astilbe chinensis Species Saxifragaceae Eukaryota TCMID*
NPO29363 Aconitum nevadense Species Ranunculaceae Eukaryota UNPD*
NPO3813 Chaenomeles speciosa Species Rosaceae Eukaryota TCMID*
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota UNPD*
NPO11250 Celastrus flagellaris Species Celastraceae Eukaryota TCMID*
NPO28898 Grewia mollis Species Malvaceae Eukaryota UNPD*
NPO25779 Vicia sativa Species Fabaceae Eukaryota TCMID*
NPO29154 Heliotropium floridum Species Heliotropiaceae Eukaryota UNPD*
NPO28679 Prunus mume Species Rosaceae Eukaryota TCMID*
NPO4244 Doodia picta Species Blechnaceae Eukaryota UNPD*
NPO10029 Prunus dulcis Species Rosaceae Eukaryota TCMID*
NPO29446 Stevia polycephala Species Asteraceae Eukaryota UNPD*
NPO28805 Thymus piperella Species Lamiaceae Eukaryota UNPD*
NPO3744 Polycephalomyces nipponicus Species Ophiocordycipitaceae Eukaryota UNPD*
NPO27170 Luffa acutangula Species Cucurbitaceae Eukaryota TCMID*
NPO29068 Papilio phorcas Species Papilionidae Eukaryota UNPD*
NPO18492 Prunus pseudocerasus Species Rosaceae Eukaryota TCMID*
NPO13818 Narcissus concolor Species Amaryllidaceae Eukaryota UNPD*
NPO829 Vaccaria hispanica Species Caryophyllaceae Eukaryota TCMID*
NPO29510 Aulacocephalus temmincki Species Serranidae Eukaryota UNPD*
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota TCMID*
NPO28949 Croton cumingii Species Euphorbiaceae Eukaryota UNPD*
NPO29466 Triglochin maritima Species Juncaginaceae Eukaryota TCMID*
NPO27269 Annona impressivenia Species Annonaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota DOI[10.1038/nbt.2488]
NPO4055 Aspergillus unguis Species Aspergillaceae Eukaryota UNPD*
NPO28824 Forsteronia refracta Species Apocynaceae Eukaryota UNPD*
NPO18492 Prunus pseudocerasus Species Rosaceae Eukaryota TCM_Taiwan*
NPO29127 Cystophora scalaris Species Sargassaceae Eukaryota UNPD*
NPO29203 Gymnocarpium robertianum Species Cystopteridaceae Eukaryota UNPD*
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota TCM_Taiwan*
NPO29047 Disynaphia halimifolia Species Asteraceae Eukaryota UNPD*
NPO28937 Heterotheca grandiflora Species Asteraceae Eukaryota UNPD*
NPO28784 Alseodaphne corneri Species Lauraceae Eukaryota UNPD*
NPO25779 Vicia sativa Species Fabaceae Eukaryota TCM_Taiwan*
NPO29189 Castanopsis sclerophylla Species Fagaceae Eukaryota UNPD*
NPO28679 Prunus mume Species Rosaceae Eukaryota TCM_Taiwan*
NPO29344 Parabenzoin trilobum NA NA NA UNPD*
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota TCM_Taiwan*
NPO29530 Kaempferia marginata Species Zingiberaceae Eukaryota UNPD*
NPO29976 Triglochin maritimum Species Juncaginaceae Eukaryota TCM_Taiwan*
NPO29381 Trichilia rubescens Species Meliaceae Eukaryota UNPD*
NPO30164 Vaccaria segetalis Species Caryophyllaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 500 nM 15357993
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 20000 nM 15357993
NPT4793 Individual Protein Carbonic anhydrase Methanosarcina thermophila Ki = 680000 nM 15357993
NPT1150 Individual Protein Carbonic anhydrase Methanobacterium thermoautotrophicum Ki = 27800000 nM 15357993
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 500 nM 15454240
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 20000 nM 15454240
NPT1060 Protein Family Carbonic anhydrase V Homo sapiens Ki = 0.01 nM 15454240
NPT1061 Individual Protein Carbonic anhydrase XIII Mus musculus Ki = 60000 nM 15454240
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 500 nM 15501038
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 20000 nM 15501038
NPT1062 Individual Protein Carbonic anhydrase IV Homo sapiens Ki = 770000 nM 15501038
NPT1060 Protein Family Carbonic anhydrase V Homo sapiens Ki = 15000 nM 15501038
NPT948 Individual Protein Carbonic anhydrase IX Homo sapiens Ki = 4000 nM 15501038
NPT955 Individual Protein Carbonic anhydrase VII Homo sapiens Ki = 9200000 nM 16621537
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 500 nM 21208801
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 20000 nM 21208801
NPT1063 Individual Protein Carbonic anhydrase VI Homo sapiens Ki = 70000 nM 21208801
NPT1064 Individual Protein Alpha carbonic anhydrase Stylophora pistillata Ki = 580000 nM 21208801
NPT1065 Individual Protein Carbonic anhydrase Stylophora pistillata Ki = 860000 nM 21208801
NPT2745 Organism Rhyzopertha dominica Rhyzopertha dominica LC50 = 0.16 ug/ml 10.1584/jpestics.30.99
NPT734 Organism Musca domestica Musca domestica LC50 = 0.02 ug/ml 10.1584/jpestics.30.99
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 500 nM 26525863
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 20000 nM 26525863
NPT2 Others Unspecified Ki = 790000 nM 26525863
NPT2 Others Unspecified Ki = 5700000 nM 26853167
NPT2 Others Unspecified Ki = 33000 nM 26853167
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 20000 nM 26853167
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 500 nM 26853167
NPT2 Others Unspecified Ki = 5700000 nM 27283786
NPT2 Others Unspecified Ki = 33000 nM 27283786
NPT2 Others Unspecified Ki = 760000 nM 27283786
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 20000 nM 27283786
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 500 nM 27283786
NPT2 Others Unspecified Ki = 8400000 nM 27283786

  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 NPC163076 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
NPC

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC163076 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
NPD

Structure

External Identifiers

PubChem CID   768
ChEMBL   CHEMBL183419
ZINC  

Physicochemical Properties

Molecular Weight:  27.01
ALogP:  0.5675
MLogP:  1.46
XLogP:  -0.357
# Rotatable Bonds:  0
Polar Surface Area:  23.79
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  2

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs