Natural Product: NPC35661

Natural Product ID:  NPC35661
Common Name:   L-Threonic Acid
IUPAC Name:   (2R,3S)-2,3,4-trihydroxybutanoic acid
Synonyms:   L-Threonic Acid
Molecular Formula:   C4H8O5
Standard InCHIKey:  JPIJQSOTBSSVTP-STHAYSLISA-N
Standard InCHI:  InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1
Canonical SMILES:  OC[C@@H]([C@H](C(=O)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
NPO19975 Pycnandra acuminata Species Sapotaceae Eukaryota DOI[10.1016/j.phytochem.2007.07.001]
NPO21027 Daphnia magna Species Daphniidae Eukaryota PMID[20117838]
NPO4011 Chlamydomonas reinhardtii Species Chlamydomonadaceae Eukaryota PMID[25515814]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1120 Individual Protein Pancreatic triacylglycerol lipase Sus scrofa IC50 > 1000000 nM 22995617
NPT1120 Individual Protein Pancreatic triacylglycerol lipase Sus scrofa Inhibition = 30 % 22995617

  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 NPC35661 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
0.9487 High Similarity NPC97444
0.9487 High Similarity NPC121018
0.9487 High Similarity NPC19044
0.9487 High Similarity NPC24751
0.9487 High Similarity NPC100742
0.9487 High Similarity NPC192402
0.8444 Intermediate Similarity NPC328954
0.8333 Intermediate Similarity NPC228782
0.8333 Intermediate Similarity NPC313565
0.8333 Intermediate Similarity NPC259982
0.8205 Intermediate Similarity NPC159089
0.8205 Intermediate Similarity NPC5505
0.7955 Intermediate Similarity NPC270088
0.7955 Intermediate Similarity NPC242655
0.7955 Intermediate Similarity NPC38891
0.7949 Intermediate Similarity NPC250870
0.7949 Intermediate Similarity NPC168052
0.7949 Intermediate Similarity NPC191084
0.7917 Intermediate Similarity NPC277878
0.7857 Intermediate Similarity NPC320331
0.7755 Intermediate Similarity NPC196612
0.7755 Intermediate Similarity NPC323401
0.7755 Intermediate Similarity NPC19676
0.7619 Intermediate Similarity NPC316217
0.7619 Intermediate Similarity NPC222792
0.76 Intermediate Similarity NPC6883
0.7447 Intermediate Similarity NPC247546
0.7447 Intermediate Similarity NPC172086
0.7368 Intermediate Similarity NPC198126
0.7317 Intermediate Similarity NPC1037
0.7292 Intermediate Similarity NPC46254
0.7273 Intermediate Similarity NPC322956
0.7273 Intermediate Similarity NPC325307
0.7179 Intermediate Similarity NPC307739
0.7179 Intermediate Similarity NPC76217
0.717 Intermediate Similarity NPC293692
0.717 Intermediate Similarity NPC220922
0.7073 Intermediate Similarity NPC325165
0.6957 Remote Similarity NPC318951
0.6957 Remote Similarity NPC320624
0.6957 Remote Similarity NPC319680
0.6939 Remote Similarity NPC293378
0.6909 Remote Similarity NPC323945
0.6905 Remote Similarity NPC103612
0.6905 Remote Similarity NPC24967
0.6852 Remote Similarity NPC327895
0.6852 Remote Similarity NPC93861
0.6852 Remote Similarity NPC43169
0.6852 Remote Similarity NPC112224
0.6842 Remote Similarity NPC301586
0.6842 Remote Similarity NPC33415
0.6786 Remote Similarity NPC320296
0.675 Remote Similarity NPC261351
0.6731 Remote Similarity NPC65985
0.6667 Remote Similarity NPC316685
0.6667 Remote Similarity NPC198377
0.6579 Remote Similarity NPC320326
0.6552 Remote Similarity NPC317651
0.6552 Remote Similarity NPC258690
0.6545 Remote Similarity NPC61567
0.6481 Remote Similarity NPC68743
0.6481 Remote Similarity NPC60830
0.6429 Remote Similarity NPC179624
0.641 Remote Similarity NPC236709
0.6364 Remote Similarity NPC3547
0.6341 Remote Similarity NPC127074
0.6341 Remote Similarity NPC149070
0.6341 Remote Similarity NPC197207
0.6341 Remote Similarity NPC212144
0.6341 Remote Similarity NPC182541
0.6341 Remote Similarity NPC187058
0.6316 Remote Similarity NPC17935
0.625 Remote Similarity NPC270334
0.625 Remote Similarity NPC292641
0.6129 Remote Similarity NPC32148
0.6098 Remote Similarity NPC320981
0.6078 Remote Similarity NPC327542
0.6078 Remote Similarity NPC200618
0.6078 Remote Similarity NPC131770
0.6053 Remote Similarity NPC165122
0.6047 Remote Similarity NPC127142
0.6047 Remote Similarity NPC307027
0.6 Remote Similarity NPC268243
0.6 Remote Similarity NPC317945
0.5962 Remote Similarity NPC270805
0.5962 Remote Similarity NPC93888
0.5952 Remote Similarity NPC328569
0.5909 Remote Similarity NPC293908
0.5909 Remote Similarity NPC86412
0.5909 Remote Similarity NPC317203
0.5909 Remote Similarity NPC192065
0.5909 Remote Similarity NPC66052
0.5909 Remote Similarity NPC325034
0.5897 Remote Similarity NPC149209
0.5897 Remote Similarity NPC3343
0.587 Remote Similarity NPC328950
0.587 Remote Similarity NPC128713
0.5862 Remote Similarity NPC320032
0.5854 Remote Similarity NPC180423
0.5849 Remote Similarity NPC198398
0.5849 Remote Similarity NPC90904
0.5849 Remote Similarity NPC27359
0.5849 Remote Similarity NPC295832
0.5814 Remote Similarity NPC217218
0.5814 Remote Similarity NPC108238
0.5789 Remote Similarity NPC157340
0.5741 Remote Similarity NPC100096
0.5738 Remote Similarity NPC106216
0.5738 Remote Similarity NPC88898
0.5714 Remote Similarity NPC23155
0.5714 Remote Similarity NPC302611
0.5714 Remote Similarity NPC310220
0.5714 Remote Similarity NPC107645
0.5714 Remote Similarity NPC320588
0.5714 Remote Similarity NPC265882
0.5714 Remote Similarity NPC241404
0.5714 Remote Similarity NPC53463
0.5714 Remote Similarity NPC469937
0.5686 Remote Similarity NPC133771
0.5682 Remote Similarity NPC7814
0.5652 Remote Similarity NPC109026
0.5641 Remote Similarity NPC140389
0.5641 Remote Similarity NPC88887
0.5641 Remote Similarity NPC82694
0.5625 Remote Similarity NPC57788
0.5625 Remote Similarity NPC53879
0.5625 Remote Similarity NPC469925
0.561 Remote Similarity NPC55956

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC35661 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
0.9487 High Similarity NPD8605 Approved
0.9487 High Similarity NPD8602 Approved
0.9487 High Similarity NPD8599 Approved
0.9487 High Similarity NPD8601 Approved
0.9487 High Similarity NPD8600 Approved
0.9487 High Similarity NPD8603 Approved
0.9487 High Similarity NPD8604 Approved
0.9487 High Similarity NPD8598 Approved
0.7917 Intermediate Similarity NPD9011 Approved
0.7917 Intermediate Similarity NPD64 Approved
0.7917 Intermediate Similarity NPD9009 Approved
0.7917 Intermediate Similarity NPD72 Approved
0.7917 Intermediate Similarity NPD66 Approved
0.7917 Intermediate Similarity NPD8960 Approved
0.7917 Intermediate Similarity NPD65 Approved
0.7917 Intermediate Similarity NPD9007 Approved
0.7917 Intermediate Similarity NPD9008 Approved
0.7917 Intermediate Similarity NPD9010 Approved
0.7447 Intermediate Similarity NPD9004 Approved
0.7447 Intermediate Similarity NPD9003 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD9005 Phase 3
0.7368 Intermediate Similarity NPD8618 Approved
0.7308 Intermediate Similarity NPD73 Approved
0.7179 Intermediate Similarity NPD8205 Approved
0.7179 Intermediate Similarity NPD8202 Approved
0.717 Intermediate Similarity NPD8959 Approved
0.7105 Intermediate Similarity NPD8619 Approved
0.7105 Intermediate Similarity NPD8617 Approved
0.7 Intermediate Similarity NPD9001 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD9002 Approved
0.6939 Remote Similarity NPD9129 Approved
0.6939 Remote Similarity NPD71 Approved
0.6939 Remote Similarity NPD9126 Approved
0.6923 Remote Similarity NPD55 Approved
0.6923 Remote Similarity NPD8204 Approved
0.6923 Remote Similarity NPD8203 Approved
0.6923 Remote Similarity NPD54 Approved
0.6923 Remote Similarity NPD8206 Approved
0.6842 Remote Similarity NPD8549 Clinical (unspecified phase)
0.6735 Remote Similarity NPD108 Approved
0.6735 Remote Similarity NPD9128 Approved
0.6735 Remote Similarity NPD109 Approved
0.6735 Remote Similarity NPD9125 Approved
0.6735 Remote Similarity NPD9123 Approved
0.6735 Remote Similarity NPD9124 Approved
0.6735 Remote Similarity NPD70 Approved
0.6735 Remote Similarity NPD9127 Approved
0.6735 Remote Similarity NPD9121 Approved
0.6735 Remote Similarity NPD9122 Approved
0.6735 Remote Similarity NPD9130 Phase 3
0.66 Remote Similarity NPD8964 Approved
0.6552 Remote Similarity NPD8961 Approved
0.641 Remote Similarity NPD8594 Approved
0.641 Remote Similarity NPD8593 Approved
0.6341 Remote Similarity NPD8814 Phase 3
0.6207 Remote Similarity NPD9120 Clinical (unspecified phase)
0.6129 Remote Similarity NPD898 Approved
0.6129 Remote Similarity NPD896 Approved
0.6129 Remote Similarity NPD897 Approved
0.6098 Remote Similarity NPD8590 Approved
0.5962 Remote Similarity NPD8624 Approved
0.5909 Remote Similarity NPD9051 Approved
0.5909 Remote Similarity NPD9053 Approved
0.5909 Remote Similarity NPD9052 Approved
0.5849 Remote Similarity NPD9226 Approved
0.5849 Remote Similarity NPD9225 Phase 3
0.5789 Remote Similarity NPD8226 Approved
0.5714 Remote Similarity NPD3730 Approved
0.5714 Remote Similarity NPD3728 Approved
0.5682 Remote Similarity NPD8857 Approved
0.5682 Remote Similarity NPD900 Approved
0.5641 Remote Similarity NPD8591 Approved
0.5641 Remote Similarity NPD8207 Approved
0.5641 Remote Similarity NPD8592 Approved

Structure

External Identifiers

PubChem CID   5460407
ChEMBL   CHEMBL2152047
ZINC  

Physicochemical Properties

Molecular Weight:  136.04
ALogP:  -1.8166
MLogP:  1.35
XLogP:  -2.395
# Rotatable Bonds:  7
Polar Surface Area:  97.99
# H-Bond Aceptor:  5
# H-Bond Donor:  4
# Rings:  0
# Heavy Atoms:  9

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs