Natural Product: NPC309330

Natural Product ID:  NPC309330
Common Name:   Putrescine
IUPAC Name:   butane-1,4-diamine
Synonyms:   Putrescine
Molecular Formula:   C4H12N2
Standard InCHIKey:  KIDHWZJUCRJVML-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
Canonical SMILES:  NCCCCN
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
NPO18991 Senecio candollei Species Asteraceae Eukaryota UNPD*
NPO19343 Centaurea glastifolia Species Asteraceae Eukaryota UNPD*
NPO13350 Dermocybe icterinoides Species Cortinariaceae Eukaryota UNPD*
NPO22602 Pityrogramma tartarea Species Pteridaceae Eukaryota UNPD*
NPO8918 Plantago depressa Species Plantaginaceae Eukaryota UNPD*
NPO14500 Pyrus pyraster Species Rosaceae Eukaryota UNPD*
NPO18559 Cucumaria okhotensis Species Cucumariidae Eukaryota UNPD*
NPO17557 Hydrodictyon reticulatum Species Hydrodictyaceae Eukaryota UNPD*
NPO20934 Genista januensis Species Fabaceae Eukaryota UNPD*
NPO19602 Nephelium maingayi Species Sapindaceae Eukaryota UNPD*
NPO19208 Chaetomium minutum Species Chaetomiaceae Eukaryota UNPD*
NPO29553 Hordei fructus germinatus NA NA NA TCMSP*
NPO14148 Panax pseudoginseng Species Araliaceae Eukaryota UNPD*
NPO29618 Citri grandis exocarpium NA NA NA TCMSP*
NPO10029 Prunus dulcis Species Rosaceae Eukaryota UNPD*
NPO19801 Euphorbia armena Species Euphorbiaceae Eukaryota UNPD*
NPO19673 Galanthus nivalis Species Amaryllidaceae Eukaryota UNPD*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TM-MC*
NPO2316 Cyanidium caldarium Species Cyanidiaceae Eukaryota UNPD*
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.
NPO4545 Canavalia gladiata Species Fabaceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[12663078]
NPO22132 Hordeum vulgare Species Poaceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[20669995]
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[15745737]
NPO7635 Glycine max Species Fabaceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[3757213]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO21027 Daphnia magna Species Daphniidae Eukaryota PMID[20117838]
NPO22132 Hordeum vulgare Species Poaceae Eukaryota TCM_Taiwan*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCM_Taiwan*
NPO4011 Chlamydomonas reinhardtii Species Chlamydomonadaceae Eukaryota PMID[25515814]
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO18106 Mitrephora vulpina Species Annonaceae Eukaryota UNPD*
NPO20053 Psilocybe subaeruginosa Species Strophariaceae Eukaryota UNPD*
NPO17305 Oenanthe phellandrium Species Muscicapidae Eukaryota UNPD*
NPO21260 Nectandra pichurim Species Lauraceae Eukaryota UNPD*
NPO19474 Clavaria pyxidata Species Clavariaceae Eukaryota UNPD*
NPO15688 Astragalus oxyphysus Species Fabaceae Eukaryota UNPD*
NPO20977 Capparis masaikai Species Capparaceae Eukaryota UNPD*
NPO8884 Cuscuta reflexa Species Convolvulaceae Eukaryota UNPD*
NPO19542 Grindelia havardii Species Asteraceae Eukaryota UNPD*
NPO20614 Aristotelia peduncularis Species Elaeocarpaceae Eukaryota UNPD*
NPO19214 Polyscias scutellaria Species Araliaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT396 Cell Line T47D Homo sapiens Ki = 7400 nM 10397506
NPT317 Uncleic Acid Nucleic Acid IC50 > 11000000 nM 11606130
NPT4628 Individual Protein Ornithine decarboxylase Rattus norvegicus Ki = 3300000 nM 2362277
NPT4628 Individual Protein Ornithine decarboxylase Rattus norvegicus Activity = 90 2362277
NPT2 Others Unspecified Ki = 208200 nM 12801231
NPT4628 Individual Protein Ornithine decarboxylase Rattus norvegicus Ki = 3500000 nM 7473562
NPT82 Cell Line MDA-MB-231 Homo sapiens Ki = 1280 nM 11606128
NPT396 Cell Line T47D Homo sapiens Ki > 500000 nM 12951106
NPT1881 Uncleic Acid Calf thymus DNA Bos taurus IC50 = 4500000 nM 1875339
NPT317 Uncleic Acid Nucleic Acid IC50 = 5100000 nM 1875339
NPT317 Uncleic Acid Nucleic Acid IC50 = 5200000 nM 1875339
NPT165 Cell Line HeLa Homo sapiens IC50 = 12000000 nM 1875339
NPT165 Cell Line HeLa Homo sapiens IC50 = 8000000 nM 1875339
NPT4102 Protein Family Phosphodiesterase 1 Bos taurus IC50 > 500000 nM 16392808
NPT4103 Cell Line CHO-MG Cricetulus griseus IC50 > 100000 nM 16392808
NPT137 Cell Line L1210 Mus musculus IC50 > 100000 nM 18558490
NPT1161 Cell Line CHO Cricetulus griseus IC50 > 100000 nM 18558490
NPT1886 Cell Line J774 Mus musculus Activity = 100 % 19648006
NPT1886 Cell Line J774 Mus musculus Activity = 90 % 19648006
NPT1886 Cell Line J774 Mus musculus Activity = 82 % 19648006
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency 37933 nM PubChem BioAssay data set
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency 7519.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Kd = 800000 nM 619149

  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 NPC309330 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 NPC28081
0.9048 High Similarity NPC306277
0.9 High Similarity NPC27869
0.85 High Similarity NPC309715
0.7826 Intermediate Similarity NPC83032
0.7826 Intermediate Similarity NPC125872
0.7391 Intermediate Similarity NPC318947
0.7308 Intermediate Similarity NPC152949
0.7308 Intermediate Similarity NPC193536
0.6923 Remote Similarity NPC27675
0.6923 Remote Similarity NPC8576
0.6786 Remote Similarity NPC95589
0.6667 Remote Similarity NPC270175
0.6667 Remote Similarity NPC313882
0.6667 Remote Similarity NPC232311
0.6667 Remote Similarity NPC119368
0.6552 Remote Similarity NPC320889
0.6333 Remote Similarity NPC328698
0.6207 Remote Similarity NPC21157
0.5938 Remote Similarity NPC163099
0.5758 Remote Similarity NPC74599
0.56 Remote Similarity NPC326253

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC309330 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
1.0 High Similarity NPD8560 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD7383 Phase 3
0.72 Intermediate Similarity NPD8791 Clinical (unspecified phase)
0.6923 Remote Similarity NPD9012 Phase 2
0.6923 Remote Similarity NPD9013 Clinical (unspecified phase)
0.6786 Remote Similarity NPD9040 Clinical (unspecified phase)
0.6786 Remote Similarity NPD9039 Approved
0.6786 Remote Similarity NPD401 Approved
0.6786 Remote Similarity NPD9041 Approved
0.6667 Remote Similarity NPD8221 Clinical (unspecified phase)
0.6552 Remote Similarity NPD8948 Approved
0.6333 Remote Similarity NPD2276 Clinical (unspecified phase)
0.6296 Remote Similarity NPD9064 Approved
0.6296 Remote Similarity NPD9063 Approved
0.6071 Remote Similarity NPD9465 Approved
0.6071 Remote Similarity NPD8544 Approved
0.6 Remote Similarity NPD1156 Clinical (unspecified phase)
0.56 Remote Similarity NPD7381 Approved
0.56 Remote Similarity NPD7382 Approved

Structure

External Identifiers

PubChem CID   1045
ChEMBL   CHEMBL46257
ZINC  

Physicochemical Properties

Molecular Weight:  88.10
ALogP:  -2.0526
MLogP:  1.68
XLogP:  -0.626
# Rotatable Bonds:  5
Polar Surface Area:  52.04
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  6

Download Data

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