Natural Product: NPC227986

Natural Product ID:  NPC227986
Common Name:   Nonane
IUPAC Name:   nonane
Synonyms:   N-Nonane; Nonane
Molecular Formula:   C9H20
Standard InCHIKey:  BKIMMITUMNQMOS-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
Canonical SMILES:  CCCCCCCCC
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
NPO29588 Ganoderma Genus Ganodermataceae Eukaryota TCMSP*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota TCMID*
NPO17331 Radix clematidis Species Lymnaeidae Eukaryota TCMSP*
NPO29700 Peucedani radix NA NA NA TCMSP*
NPO17506 Semen pharbitidis NA NA NA TCMSP*
NPO24731 Sesami nigrum semen NA NA NA TCMSP*
NPO13103 Radix angelicae biseratae Species Lymnaeidae Eukaryota TCMSP*
NPO2203 Flos genkwa Species Lycaenidae Eukaryota TCMSP*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TCM_Taiwan*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[23454028]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24421258]
NPO6583 Clematis chinensis Species Ranunculaceae Eukaryota TM-MC*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TCM_Taiwan*
NPO10868 Clematis hexapetala Species Ranunculaceae Eukaryota TM-MC*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota HerDing*
NPO16314.1 Clematis terniflora var. mandshurica Varieties Ranunculaceae Eukaryota TM-MC*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota TCM_Taiwan*
NPO9693 Clematis manshurica Species Ranunculaceae Eukaryota TM-MC*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TM-MC*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota HerDing*
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota TM-MC*
NPO24758 Angelica dahurica Species Apiaceae Eukaryota HerDing*
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota TM-MC*
NPO31003 Moschus sifanicus Species Moschidae Eukaryota HerDing*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TM-MC*
NPO11495 Pellia epiphylla Species Pelliaceae Eukaryota UNPD*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TCMID*
NPO14835 Lepraria chlorina Species Stereocaulaceae Eukaryota UNPD*
NPO21963 Hypericum japonicum Species Hypericaceae Eukaryota TCMID*
NPO14674 Vallesia glabra Species Apocynaceae Eukaryota UNPD*
NPO13599 Dryopteris abbreviata Species Dryopteridaceae Eukaryota UNPD*
NPO2646 Moschus moschiferus Species Moschidae Eukaryota TCMID*
NPO15446 Quercus coccifera Species Fagaceae Eukaryota UNPD*
NPO463 Moschus berezovskii Species Moschidae Eukaryota TCMID*
NPO8387 Lactarius flavidulus Species Lactariidae Eukaryota UNPD*
NPO12246 Moschus chrysogaster Species Moschidae Eukaryota TCMID*
NPO12500 Inga umbellifera Species Fabaceae Eukaryota UNPD*
NPO11411 Gossypium herbaceum Species Malvaceae Eukaryota TCMID*
NPO5174 Helenium mexicanum Species Asteraceae Eukaryota UNPD*
NPO24758 Angelica dahurica Species Apiaceae Eukaryota TCMID*
NPO11328 Juniperus chinensis Species Cupressaceae Eukaryota UNPD*
NPO25628 Abrus pulchellus Species Fabaceae Eukaryota TCMID*
NPO13468.1 Cryptomeria japonica var. sinensis Varieties Cupressaceae Eukaryota UNPD*
NPO1771 Rose rugosae flos NA NA NA TCMSP*
NPO20568 Hyperici japonici herber NA NA NA TCMSP*
NPO32 Peucedanidecursivi radix NA NA NA TCMSP*
NPO914 Smilacis glabrae rhixoma NA NA NA TCMSP*
NPO29579 Arisaematis rhizoma NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 3162.3 nM PubChem BioAssay data set
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1126.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 245.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10962.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15355.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 63322.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 44829.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1263.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 70407.2 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 NPC227986 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 NPC278711
1.0 High Similarity NPC302327
1.0 High Similarity NPC82648
1.0 High Similarity NPC136996
1.0 High Similarity NPC273385
1.0 High Similarity NPC64370
0.9375 High Similarity NPC89422
0.9333 High Similarity NPC224874
0.8824 High Similarity NPC154477
0.8824 High Similarity NPC77249
0.8824 High Similarity NPC239406
0.8824 High Similarity NPC26974
0.8824 High Similarity NPC26229
0.8667 High Similarity NPC98925
0.75 Intermediate Similarity NPC234888
0.75 Intermediate Similarity NPC127355
0.7333 Intermediate Similarity NPC150271
0.7143 Intermediate Similarity NPC47161
0.6818 Remote Similarity NPC14312
0.6818 Remote Similarity NPC27501
0.6667 Remote Similarity NPC187095
0.6522 Remote Similarity NPC172053
0.6522 Remote Similarity NPC287807
0.625 Remote Similarity NPC266539
0.625 Remote Similarity NPC256060
0.625 Remote Similarity NPC29199
0.625 Remote Similarity NPC31891
0.625 Remote Similarity NPC266144
0.625 Remote Similarity NPC287191
0.5882 Remote Similarity NPC236495
0.5833 Remote Similarity NPC38513
0.5833 Remote Similarity NPC88325
0.5769 Remote Similarity NPC313882
0.5769 Remote Similarity NPC295442
0.5769 Remote Similarity NPC223195
0.5769 Remote Similarity NPC76765
0.5769 Remote Similarity NPC179103
0.5714 Remote Similarity NPC252008

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC227986 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   8141
ChEMBL   CHEMBL335900
ZINC  

Physicochemical Properties

Molecular Weight:  128.16
ALogP:  -1.9134
MLogP:  2.45
XLogP:  5.461
# Rotatable Bonds:  8
Polar Surface Area:  0
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  9

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs