Natural Product: NPC285322

Natural Product ID:  NPC285322
Common Name:   D-Aspartate
IUPAC Name:   (2R)-2-aminobutanedioic acid
Synonyms:   D-aspartate; D-Aspartic Acid
Molecular Formula:   C4H7NO4
Standard InCHIKey:  CKLJMWTZIZZHCS-UWTATZPHSA-N
Standard InCHI:  InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
Canonical SMILES:  OC(=O)C[C@H](C(=O)O)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
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota PMID[19860889]
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[19573517]
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota TM-MC*
NPO19048 Pinellia ternata Species Araceae Eukaryota TCM_Taiwan*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota TM-MC*
NPO19866 Arabidopsis thaliana Species Brassicaceae Eukaryota PMID[18318836]
NPO14964 Calvatia gigantea Species Lycoperdaceae Eukaryota TM-MC*
NPO20338 Mus musculus Species Muridae Eukaryota PMID[11419736]
NPO17030 Calvatia lilacina Species Lycoperdaceae Eukaryota TM-MC*
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota TM-MC*
NPO29384 Glycyrrhiza glabra Species Fabaceae Eukaryota TCM_Taiwan*
NPO21845 Calvatia fenzlii Species Lycoperdaceae Eukaryota TM-MC*
NPO28645 Chondria armata Species Rhodomelaceae Eukaryota UNPD*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TM-MC*
NPO28420 Guizotia scabra Species Asteraceae Eukaryota UNPD*
NPO28331 Astragalus siculus Species Fabaceae Eukaryota UNPD*
NPO784 Sinapis alba Species Brassicaceae Eukaryota TM-MC*
NPO28227 Prunus speciosa Species Rosaceae Eukaryota UNPD*
NPO27701 Otholobium glandulosum Species Fabaceae Eukaryota UNPD*
NPO523 Tussilago farfara Species Asteraceae Eukaryota TM-MC*
NPO27917 Ulmus campestris Species Ulmaceae Eukaryota UNPD*
NPO28105 Coriolopsis gallica Species Coriolaceae Eukaryota UNPD*
NPO28522 Flustra denticulata Species Flustridae Eukaryota UNPD*
NPO28156 Nezara viridula Species Pentatomidae Eukaryota UNPD*
NPO28493 Euphorbia cuneata Species Euphorbiaceae Eukaryota UNPD*
NPO28539 Xestospongia vanilla Species Petrosiidae Eukaryota UNPD*
NPO21945 Amomum melegueta Species Zingiberaceae Eukaryota UNPD*
NPO28314 Hakea trifurcata Species Proteaceae Eukaryota UNPD*
NPO28505 Arum palaestinum Species Araceae Eukaryota UNPD*
NPO28122 Senecio chionophilus Species Asteraceae Eukaryota UNPD*
NPO27889 Anacyclus monanthos Species Asteraceae Eukaryota UNPD*
NPO28082 Corydalis tashiroi Species Papaveraceae Eukaryota UNPD*
NPO12214 Leontice robustum Species Berberidaceae Eukaryota UNPD*
NPO2088 Bamusaeconcretiosilicea NA NA NA TCMSP*
NPO28030 Polysiphonia nigra Species Rhodomelaceae Eukaryota UNPD*
NPO5681 Acorus gramineus Species Acoraceae Eukaryota TM-MC*
NPO27969 Elvira biflora Species Trochilidae Eukaryota UNPD*
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota TM-MC*
NPO28279 Mikania cordifolia Species Asteraceae Eukaryota UNPD*
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota TM-MC*
NPO2997 Aloe africana Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO28403 Comanthus bennetti Species Comatulidae Eukaryota UNPD*
NPO11578 Aloe vera Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO27849 Raoulia australis Species Asteraceae Eukaryota UNPD*
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota TM-MC*
NPO27768 Terminalia brachystemma Species Combretaceae Eukaryota UNPD*
NPO2837 Aloe spicata Species Asphodelaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine David F. Putnam Composition and Concentrative Properties of Human Urine. NASA Contractor Report. July 1971
NPO29007 Brassica juncea Species Brassicaceae Eukaryota TM-MC*
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.

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1259 Individual Protein Metabotropic glutamate receptor 1 Homo sapiens EC50 > 1000000 nM 8759641
NPT4563 Individual Protein Metabotropic glutamate receptor 2 Homo sapiens EC50 > 1000000 nM 8759641
NPT3757 Individual Protein Metabotropic glutamate receptor 6 Homo sapiens EC50 > 1000000 nM 8759641
NPT1496 Protein Complex Glutamate NMDA receptor Rattus norvegicus IC50 = 10000 nM 1533422
NPT2 Others Unspecified Kd = 10 nM 17230192
NPT2 Others Unspecified Kd = 9 nM 17230192
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 7943.3 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 79432.8 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 14125.4 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 3380.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33498.3 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 26832.5 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 158.5 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 NPC285322 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 NPC208793
0.8444 Intermediate Similarity NPC309658
0.8261 Intermediate Similarity NPC136159
0.82 Intermediate Similarity NPC327831
0.814 Intermediate Similarity NPC66043
0.814 Intermediate Similarity NPC121517
0.814 Intermediate Similarity NPC326992
0.814 Intermediate Similarity NPC168375
0.8085 Intermediate Similarity NPC153370
0.7778 Intermediate Similarity NPC167986
0.7778 Intermediate Similarity NPC291186
0.7736 Intermediate Similarity NPC93861
0.7736 Intermediate Similarity NPC43169
0.7736 Intermediate Similarity NPC112224
0.7736 Intermediate Similarity NPC327895
0.7727 Intermediate Similarity NPC237525
0.7727 Intermediate Similarity NPC326212
0.7708 Intermediate Similarity NPC227850
0.7619 Intermediate Similarity NPC116709
0.7619 Intermediate Similarity NPC272614
0.7619 Intermediate Similarity NPC21290
0.7609 Intermediate Similarity NPC132307
0.7609 Intermediate Similarity NPC126925
0.7609 Intermediate Similarity NPC325097
0.7447 Intermediate Similarity NPC329263
0.7447 Intermediate Similarity NPC118459
0.7447 Intermediate Similarity NPC327698
0.7442 Intermediate Similarity NPC63621
0.7333 Intermediate Similarity NPC53449
0.7321 Intermediate Similarity NPC322206
0.7317 Intermediate Similarity NPC114517
0.7308 Intermediate Similarity NPC60672
0.7308 Intermediate Similarity NPC322091
0.7292 Intermediate Similarity NPC136476
0.7292 Intermediate Similarity NPC49952
0.7143 Intermediate Similarity NPC316168
0.7059 Intermediate Similarity NPC315977
0.7059 Intermediate Similarity NPC137958
0.7059 Intermediate Similarity NPC273330
0.7059 Intermediate Similarity NPC125736
0.7 Intermediate Similarity NPC93081
0.7 Intermediate Similarity NPC140872
0.6939 Remote Similarity NPC185755
0.6939 Remote Similarity NPC213876
0.6889 Remote Similarity NPC18188
0.6875 Remote Similarity NPC198301
0.6863 Remote Similarity NPC324825
0.6863 Remote Similarity NPC84636
0.6863 Remote Similarity NPC226027
0.6863 Remote Similarity NPC193989
0.6863 Remote Similarity NPC93888
0.6863 Remote Similarity NPC43204
0.6863 Remote Similarity NPC316231
0.6863 Remote Similarity NPC162620
0.6863 Remote Similarity NPC112890
0.6863 Remote Similarity NPC152451
0.6863 Remote Similarity NPC245027
0.6863 Remote Similarity NPC174246
0.6863 Remote Similarity NPC62045
0.6863 Remote Similarity NPC170739
0.6863 Remote Similarity NPC270805
0.6809 Remote Similarity NPC219143
0.6809 Remote Similarity NPC317691
0.6809 Remote Similarity NPC326808
0.6809 Remote Similarity NPC226265
0.6809 Remote Similarity NPC254482
0.6809 Remote Similarity NPC110533
0.6786 Remote Similarity NPC190385
0.6727 Remote Similarity NPC313263
0.6667 Remote Similarity NPC183845
0.6667 Remote Similarity NPC279661
0.6604 Remote Similarity NPC155156
0.6604 Remote Similarity NPC200550
0.66 Remote Similarity NPC297220
0.66 Remote Similarity NPC228932
0.6545 Remote Similarity NPC2801
0.6545 Remote Similarity NPC102815
0.6538 Remote Similarity NPC328378
0.65 Remote Similarity NPC106216
0.65 Remote Similarity NPC88898
0.6481 Remote Similarity NPC317815
0.6481 Remote Similarity NPC190184
0.6481 Remote Similarity NPC197087
0.6471 Remote Similarity NPC181588
0.6471 Remote Similarity NPC204364
0.6471 Remote Similarity NPC101249
0.6471 Remote Similarity NPC118187
0.6444 Remote Similarity NPC9294
0.6429 Remote Similarity NPC325985
0.6415 Remote Similarity NPC114990
0.6364 Remote Similarity NPC321118
0.6364 Remote Similarity NPC316889
0.6346 Remote Similarity NPC318523
0.6341 Remote Similarity NPC126681
0.6341 Remote Similarity NPC236709
0.6327 Remote Similarity NPC276294
0.6275 Remote Similarity NPC198196
0.625 Remote Similarity NPC10915
0.6226 Remote Similarity NPC286989
0.62 Remote Similarity NPC323974
0.6182 Remote Similarity NPC329495
0.614 Remote Similarity NPC38463
0.6102 Remote Similarity NPC321536
0.6038 Remote Similarity NPC327542
0.6034 Remote Similarity NPC278209
0.6 Remote Similarity NPC143722
0.6 Remote Similarity NPC177191
0.6 Remote Similarity NPC107645
0.5965 Remote Similarity NPC322573
0.5957 Remote Similarity NPC216443
0.5938 Remote Similarity NPC196359
0.5938 Remote Similarity NPC221764
0.5938 Remote Similarity NPC78312
0.5938 Remote Similarity NPC135539
0.5932 Remote Similarity NPC302003
0.5932 Remote Similarity NPC176164
0.5932 Remote Similarity NPC189301
0.5932 Remote Similarity NPC245346
0.5932 Remote Similarity NPC11433
0.5926 Remote Similarity NPC17244
0.5902 Remote Similarity NPC273037
0.5846 Remote Similarity NPC107224
0.5833 Remote Similarity NPC254541
0.5833 Remote Similarity NPC64250
0.5833 Remote Similarity NPC316826
0.5833 Remote Similarity NPC317143
0.5833 Remote Similarity NPC268927
0.5833 Remote Similarity NPC327748
0.5833 Remote Similarity NPC321468
0.5833 Remote Similarity NPC320598
0.5833 Remote Similarity NPC276928
0.5818 Remote Similarity NPC319175
0.5806 Remote Similarity NPC327252
0.5789 Remote Similarity NPC145235
0.5781 Remote Similarity NPC470108
0.5769 Remote Similarity NPC191136
0.5763 Remote Similarity NPC318260
0.5763 Remote Similarity NPC317147
0.5738 Remote Similarity NPC329564
0.5738 Remote Similarity NPC321419
0.5738 Remote Similarity NPC68974
0.5738 Remote Similarity NPC327170
0.5735 Remote Similarity NPC185084
0.5714 Remote Similarity NPC289691
0.5692 Remote Similarity NPC470109
0.5645 Remote Similarity NPC118429
0.5625 Remote Similarity NPC69179
0.5625 Remote Similarity NPC124886
0.5625 Remote Similarity NPC174304
0.5625 Remote Similarity NPC50047
0.5625 Remote Similarity NPC325597
0.5614 Remote Similarity NPC189178
0.5614 Remote Similarity NPC263065
0.5606 Remote Similarity NPC470110

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC285322 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 NPD8610 Approved
0.9268 High Similarity NPD8609 Approved
0.8085 Intermediate Similarity NPD8614 Approved
0.7778 Intermediate Similarity NPD8805 Approved
0.7778 Intermediate Similarity NPD8804 Approved
0.7619 Intermediate Similarity NPD8211 Approved
0.7619 Intermediate Similarity NPD8210 Phase 3
0.7609 Intermediate Similarity NPD8798 Approved
0.7143 Intermediate Similarity NPD8209 Phase 2
0.7143 Intermediate Similarity NPD8208 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD8872 Phase 3
0.7059 Intermediate Similarity NPD8871 Approved
0.7 Intermediate Similarity NPD8808 Approved
0.7 Intermediate Similarity NPD8809 Approved
0.6939 Remote Similarity NPD8801 Approved
0.6939 Remote Similarity NPD8982 Approved
0.6889 Remote Similarity NPD8623 Phase 1
0.6863 Remote Similarity NPD9016 Clinical (unspecified phase)
0.6863 Remote Similarity NPD8803 Clinical (unspecified phase)
0.6863 Remote Similarity NPD8624 Approved
0.6863 Remote Similarity NPD9044 Approved
0.6863 Remote Similarity NPD9021 Approved
0.6863 Remote Similarity NPD9018 Approved
0.6863 Remote Similarity NPD9017 Approved
0.6863 Remote Similarity NPD8802 Approved
0.6809 Remote Similarity NPD8217 Clinical (unspecified phase)
0.6809 Remote Similarity NPD8214 Approved
0.6809 Remote Similarity NPD8216 Approved
0.6809 Remote Similarity NPD8215 Approved
0.6792 Remote Similarity NPD8851 Phase 1
0.6786 Remote Similarity NPD9023 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8873 Approved
0.6481 Remote Similarity NPD8849 Clinical (unspecified phase)
0.6481 Remote Similarity NPD8785 Approved
0.6471 Remote Similarity NPD8866 Approved
0.6471 Remote Similarity NPD8867 Approved
0.6471 Remote Similarity NPD8810 Clinical (unspecified phase)
0.6452 Remote Similarity NPD1429 Clinical (unspecified phase)
0.6341 Remote Similarity NPD8594 Approved
0.6341 Remote Similarity NPD7371 Approved
0.6341 Remote Similarity NPD8593 Approved
0.6275 Remote Similarity NPD9020 Approved
0.6207 Remote Similarity NPD9433 Approved
0.62 Remote Similarity NPD9019 Approved
0.6111 Remote Similarity NPD9025 Approved
0.5938 Remote Similarity NPD8868 Approved
0.5932 Remote Similarity NPD8865 Approved
0.5926 Remote Similarity NPD9230 Discontinued
0.5862 Remote Similarity NPD8979 Approved
0.5862 Remote Similarity NPD8980 Approved
0.5862 Remote Similarity NPD8981 Clinical (unspecified phase)
0.5854 Remote Similarity NPD51 Approved
0.5854 Remote Similarity NPD7367 Approved
0.5854 Remote Similarity NPD7368 Approved
0.5849 Remote Similarity NPD8850 Approved
0.5806 Remote Similarity NPD575 Clinical (unspecified phase)
0.5789 Remote Similarity NPD9419 Clinical (unspecified phase)
0.5714 Remote Similarity NPD1151 Approved
0.569 Remote Similarity NPD8971 Approved
0.5667 Remote Similarity NPD8848 Approved
0.5645 Remote Similarity NPD574 Approved
0.5645 Remote Similarity NPD9014 Approved
0.5636 Remote Similarity NPD8946 Approved
0.5636 Remote Similarity NPD8947 Approved
0.5625 Remote Similarity NPD348 Approved
0.5614 Remote Similarity NPD9205 Approved
0.5614 Remote Similarity NPD9204 Approved
0.561 Remote Similarity NPD8591 Approved
0.561 Remote Similarity NPD8592 Approved

Structure

External Identifiers

PubChem CID   83887
ChEMBL   CHEMBL29757
ZINC  

Physicochemical Properties

Molecular Weight:  133.04
ALogP:  -1.3518
MLogP:  1.35
XLogP:  -3.707
# Rotatable Bonds:  6
Polar Surface Area:  100.62
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  0
# Heavy Atoms:  9

Download Data

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Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs