Natural Product: NPC300059

Natural Product ID:  NPC300059
Common Name:   Taurine
IUPAC Name:   2-azaniumylethanesulfonate
Synonyms:   Aminoethylsulfonic Acid; O-Due; Taurine
Molecular Formula:   C2H7NO3S
Standard InCHIKey:  XOAAWQZATWQOTB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
Canonical SMILES:  NCCS(=O)(=O)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
NPO16454 Crinum erubescens Species Amaryllidaceae Eukaryota UNPD*
NPO31138 Calculus bovis NA NA NA TCM_Taiwan*
NPO21088 Litsea pulchella Species Lauraceae Eukaryota UNPD*
NPO8650.1 Perilla frutescens var. arguta Varieties Lamiaceae Eukaryota UNPD*
NPO20208 Rhinogobius brunneus Species Gobiidae Eukaryota UNPD*
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO20739 Jungermannia hyalina Species Jungermanniaceae Eukaryota UNPD*
NPO3237 Mytilus edulis Species Mytilidae Eukaryota UNPD*
NPO20051 Gardenia collinsae Species Rubiaceae Eukaryota UNPD*
NPO19488 Trifolium subterraneum Species Fabaceae Eukaryota UNPD*
NPO16907 Pentzia incana Species Asteraceae Eukaryota UNPD*
NPO20872 Melampodium heterophyllum Species Asteraceae Eukaryota UNPD*
NPO27012 Laurencia pannosa Species Rhodomelaceae Eukaryota UNPD*
NPO27773 Rhododendron ovatum Species Ericaceae Eukaryota UNPD*
NPO20813 Myrmica sabuleti Species Formicidae Eukaryota UNPD*
NPO27648 Cereus aethiops Species Cactaceae Eukaryota UNPD*
NPO8678 Trillium camschatcense Species Melanthiaceae Eukaryota UNPD*
NPO17256 Kobresia nepalensis Species Cyperaceae Eukaryota UNPD*
NPO22488 Leptosphaeria oraemaris Species Leptosphaeriaceae Eukaryota UNPD*
NPO26840 Litsea aciculata Species Lauraceae Eukaryota UNPD*
NPO21365 Ligularia muliensis Species Asteraceae Eukaryota UNPD*
NPO21618 Ircinia oros Species Irciniidae Eukaryota UNPD*
NPO11622.1 Shuteria involucrata var. vestita Varieties Fabaceae Eukaryota UNPD*
NPO14136 Acherontia atropus Species Sphingidae Eukaryota UNPD*
NPO26895 Baccharis bigelovii Species Asteraceae Eukaryota UNPD*
NPO13260 Eria foetida Species Orchidaceae Eukaryota UNPD*
NPO20612 Ursinia abrotanifolia Species Asteraceae Eukaryota UNPD*
NPO20340 Pausinystalia mayumbensis Species Rubiaceae Eukaryota UNPD*
NPO2854 Gymnosporia senegalensis Species Celastraceae Eukaryota UNPD*
NPO21005 Baphia nitida Species Fabaceae Eukaryota UNPD*
NPO27191 Schistochila appendiculata Species Schistochilaceae Eukaryota UNPD*
NPO11966 Euphorbia kamerunica Species Euphorbiaceae Eukaryota UNPD*
NPO19674 Lycii cortex NA NA NA TCMSP*
NPO16500 Byssochlamys spectabilis Species Thermoascaceae Eukaryota UNPD*
NPO14330 Agave aurea Species Asparagaceae Eukaryota UNPD*
NPO23624 Thalluslaminariae NA NA NA TCMSP*
NPO27725 Artemisia vestita Species Asteraceae Eukaryota UNPD*
NPO22510 Eupatorium havanense Species Asteraceae Eukaryota UNPD*
NPO29679 Lycii fructus NA NA NA TCMSP*
NPO27262 Dryopteris inaequalis Species Dryopteridaceae Eukaryota UNPD*
NPO27740 Alcantara ekmaniana NA NA NA UNPD*
NPO23429 Lycium barbarum Species Solanaceae Eukaryota TM-MC*
NPO21289 Teucrium oxylepis Species Lamiaceae Eukaryota UNPD*
NPO18620 Grindelia acutifolia Species Asteraceae Eukaryota UNPD*
NPO17823 Lycium chinense Species Solanaceae Eukaryota TM-MC*
NPO21231 Astragalus tragacantha Species Fabaceae Eukaryota UNPD*
NPO20671 Selliguea feei Species Polypodiaceae Eukaryota UNPD*
NPO19901 Emilia sonchifolia Species Asteraceae Eukaryota UNPD*
NPO17823 Lycium chinense Species Solanaceae Eukaryota TCM_Taiwan*
NPO20931 Simaba multiflora Species Simaroubaceae Eukaryota UNPD*
NPO27323 Cestrum nocturnum Species Solanaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.
NPO15216 Encephalartos altensteinii Species Zamiaceae Eukaryota UNPD*
NPO14466 Penicillium olsonii Species Aspergillaceae Eukaryota UNPD*
NPO27707 Soja hispida Species Fabaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva DOI[10.1007/s11306-012-0464-y]
NPO19986 Crataegus davisii Species Rosaceae Eukaryota UNPD*
NPO20408 Ajuga spectabilis Species Lamiaceae Eukaryota UNPD*
NPO4343 Guanomyces polythrix Species NA Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota DOI[10.1038/nbt.2488]
NPO3777 Stevia chamaedrys Species Asteraceae Eukaryota UNPD*
NPO19773 Xenorhabdus bovienii Species Morganellaceae Bacteria UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota bile PMID[15780050]
NPO11140 Coprinopsis cinerea Species Psathyrellaceae Eukaryota UNPD*
NPO21679 Nuphar lutea Species Nymphaeaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[12297216]
NPO21426 Alstroemeria revoluta Species Alstroemeriaceae Eukaryota UNPD*
NPO20546 Cissus pallidiflorus Species Vitaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[21761941]
NPO16044 Cupressus lawsoniana Species Cupressaceae Eukaryota UNPD*
NPO27569 Archangelica officinalis Species Apiaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota breast milk PMID[24027187]
NPO17223 Agelas oroides Species Agelasidae Eukaryota UNPD*
NPO7497 Guatteria blepharophylla Species Annonaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[19309105]
NPO18096 Excoecaria oppositifolia Species Euphorbiaceae Eukaryota UNPD*
NPO21486 Marrubium alysson Species Lamiaceae Eukaryota UNPD*
NPO20338 Mus musculus Species Muridae Eukaryota PMID[17875433]
NPO19017 Prangos pabularia Species Apiaceae Eukaryota UNPD*
NPO21550 Achillea macrophylla Species Asteraceae Eukaryota UNPD*
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO27688 Aeonium goochiae Species Crassulaceae Eukaryota UNPD*
NPO17515 Pronephrium triphyllum Species Thelypteridaceae Eukaryota UNPD*
NPO21658 Saccharomyces cerevisiae Species Saccharomycetaceae Eukaryota PMID[24678285]
NPO20212 Callistemon viminalis Species Myrtaceae Eukaryota UNPD*
NPO19622 Euphorbia marginata Species Euphorbiaceae Eukaryota UNPD*
NPO30085 Buthus martensii Species Buthidae Eukaryota TCM_Taiwan*
NPO5420 Temnopleurus toreumaticus Species Temnopleuridae Eukaryota UNPD*
NPO27072 Monochaetum vulcanicum Species Melastomataceae Eukaryota UNPD*
NPO30810 Buthus martensi Species Buthidae Eukaryota TCM_Taiwan*
NPO19192 Sinocalamus affinis Species NA NA UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum IC50 > 100 ug/ml 17765547
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 > 50 ug/ml 17765547
NPT844 Organism Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 = 83.4 ug/ml 17765547
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 > 30 ug/ml 17765547
NPT633 Organism Leishmania donovani Leishmania donovani IC50 > 30 ug/ml 17765547
NPT839 Cell Line L6 Rattus norvegicus IC50 > 90 ug/ml 17765547
NPT2 Others Unspecified Inhibition < 15 % 19060912
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 22387.2 nM PubChem BioAssay data set
NPT791 Individual Protein Cruzipain Trypanosoma cruzi Potency = 39810.7 nM PubChem BioAssay data set
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT58 Individual Protein Bloom syndrome protein Homo sapiens Potency = 12.6 nM PubChem BioAssay data set
NPT61 Individual Protein Beta-glucocerebrosidase Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 4256.2 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 891.3 nM PubChem BioAssay data set
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency 266.8 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency 106.2 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 19011.5 nM PubChem BioAssay data set
NPT1006 Individual Protein Proton-coupled amino acid transporter 1 Homo sapiens Ki = 7800000 nM 21955456
NPT367 Cell Line MDA-N Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 10590.9 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT158 Individual Protein Nuclear receptor subfamily 1 group I member 2 Rattus norvegicus Potency 25118.9 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 20596.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1.1 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 26832.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35717.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 31833.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 28371.6 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 11294.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7126.6 nM PubChem BioAssay data set
NPT104 Individual Protein Cerebroside-sulfatase Homo sapiens Potency 10.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30106.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1332.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11394.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14219.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15954.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6309.6 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 7079.5 nM PubChem BioAssay data set
NPT115 Organism Mycobacterium tuberculosis H37Ra Mycobacterium tuberculosis H37Ra MIC > 100 ug/ml 25462220
NPT2 Others Unspecified Potency 562.3 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 631 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3757.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15089 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 0.7 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 8912.5 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 NPC300059 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
0.9643 High Similarity NPC322658
0.6552 Remote Similarity NPC326253
0.6364 Remote Similarity NPC318523
0.6136 Remote Similarity NPC118187

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC300059 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 NPD7380 Approved
0.9333 High Similarity NPD8233 Phase 3
0.9333 High Similarity NPD7372 Phase 2
0.6552 Remote Similarity NPD7382 Approved
0.6552 Remote Similarity NPD7381 Approved
0.6333 Remote Similarity NPD7376 Approved
0.5938 Remote Similarity NPD8227 Approved
0.5938 Remote Similarity NPD8230 Phase 3
0.5854 Remote Similarity NPD8806 Approved
0.5854 Remote Similarity NPD58 Approved
0.5789 Remote Similarity NPD8620 Phase 2
0.5758 Remote Similarity NPD8551 Phase 3
0.5667 Remote Similarity NPD7375 Approved
0.5667 Remote Similarity NPD7377 Approved

Structure

External Identifiers

PubChem CID   4068592;1123
ChEMBL   CHEMBL239243
ZINC  

Physicochemical Properties

Molecular Weight:  125.01
ALogP:  -1.2682
MLogP:  1.13
XLogP:  -1.678
# Rotatable Bonds:  4
Polar Surface Area:  88.77
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  7

Download Data

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Biological Activities  
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