Natural Product: NPC100742

Natural Product ID:  NPC100742
Common Name:   Tartaric Acid
IUPAC Name:   (2S,3S)-2,3-dihydroxybutanedioic acid
Synonyms:   E334; Tartaric Acid
Molecular Formula:   C4H6O6
Standard InCHIKey:  FEWJPZIEWOKRBE-LWMBPPNESA-N
Standard InCHI:  InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1
Canonical SMILES:  O[C@@H]([C@@H](C(=O)O)O)C(=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
NPO14856 Peripterygia marginata Species Celastraceae Eukaryota UNPD*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TM-MC*
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota TM-MC*
NPO6882 Acremonium luzulae Species NA Eukaryota UNPD*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TM-MC*
NPO13774 Betula pendula Species Betulaceae Eukaryota UNPD*
NPO28679 Prunus mume Species Rosaceae Eukaryota TM-MC*
NPO7638 Symphoricarpos rivularis Species Caprifoliaceae Eukaryota UNPD*
NPO13538 Harrisonia abyssinica Species Rutaceae Eukaryota UNPD*
NPO22693 Curio ficoides Species Asteraceae Eukaryota UNPD*
NPO14414 Amomum micranthum Species Zingiberaceae Eukaryota UNPD*
NPO13300 Sideritis javalambrensis Species Lamiaceae Eukaryota UNPD*
NPO21880 Salvia tonalensis Species Lamiaceae Eukaryota UNPD*
NPO933 Anthoxanthum odoratum Species Poaceae Eukaryota UNPD*
NPO9249 Jujubae fructus NA NA NA TCMSP*
NPO29564 Farfarae flos NA NA NA TCMSP*
NPO29545 Capsici fructus NA NA NA TCMSP*
NPO29628 Rubi fructus NA NA NA TCMSP*
NPO29609 Polygoni cuspidati rhizoma et radix NA NA NA TCMSP*
NPO12328 Ampelopsis japonica Species Vitaceae Eukaryota TCMSP*
NPO29698 Imperatae rhizoma NA NA NA TCMSP*
NPO3330 Capsellae herba NA NA NA TCMSP*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO29582 Aloe Genus Asphodelaceae Eukaryota TCMSP*
NPO18195 Maydis seigma NA NA NA TCMSP*
NPO28184 Folium nelumbinis NA NA NA TCMSP*
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*
NPO29551 Mori fructus NA NA NA TCMSP*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota TCMSP*
NPO29644 Xanthii fructus NA NA NA TCMSP*
NPO29685 Eucommiae folium NA NA NA TCMSP*
NPO29635 Eucommiae cortex NA NA NA TCMSP*
NPO2997 Aloe africana Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO11578 Aloe vera Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota TM-MC*
NPO2837 Aloe spicata Species Asphodelaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 ED50 > 1 nM 12166940
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 >> 25000 nM 12166940
NPT460 Cell Line MT2 Homo sapiens LD5 > 1 nM 9986720
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 ED50 > 1 nM 9986720
NPT12 Individual Protein Human immunodeficiency virus type 1 integrase Human immunodeficiency virus 1 Inhibition = 0 % 9986720
NPT664 Protein Family Histone deacetylase Homo sapiens Activity = 90 % 19520580
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 1584.9 nM PubChem BioAssay data set
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 5.2 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 NPC100742 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 NPC97444
1.0 High Similarity NPC192402
1.0 High Similarity NPC19044
1.0 High Similarity NPC24751
1.0 High Similarity NPC121018
0.9487 High Similarity NPC35661
0.8205 Intermediate Similarity NPC159089
0.8043 Intermediate Similarity NPC328954
0.7907 Intermediate Similarity NPC313565
0.7907 Intermediate Similarity NPC259982
0.7907 Intermediate Similarity NPC228782
0.7755 Intermediate Similarity NPC19676
0.7755 Intermediate Similarity NPC323401
0.775 Intermediate Similarity NPC5505
0.775 Intermediate Similarity NPC1037
0.76 Intermediate Similarity NPC6883
0.7556 Intermediate Similarity NPC242655
0.7556 Intermediate Similarity NPC270088
0.7556 Intermediate Similarity NPC38891
0.7551 Intermediate Similarity NPC277878
0.75 Intermediate Similarity NPC191084
0.75 Intermediate Similarity NPC250870
0.75 Intermediate Similarity NPC168052
0.7442 Intermediate Similarity NPC320331
0.74 Intermediate Similarity NPC196612
0.7273 Intermediate Similarity NPC322956
0.7273 Intermediate Similarity NPC325307
0.7209 Intermediate Similarity NPC222792
0.7209 Intermediate Similarity NPC316217
0.7179 Intermediate Similarity NPC307739
0.7179 Intermediate Similarity NPC76217
0.717 Intermediate Similarity NPC327895
0.717 Intermediate Similarity NPC43169
0.717 Intermediate Similarity NPC112224
0.717 Intermediate Similarity NPC93861
0.7083 Intermediate Similarity NPC247546
0.7083 Intermediate Similarity NPC172086
0.6939 Remote Similarity NPC293378
0.6939 Remote Similarity NPC46254
0.6923 Remote Similarity NPC198126
0.6852 Remote Similarity NPC61567
0.6852 Remote Similarity NPC220922
0.6852 Remote Similarity NPC293692
0.6842 Remote Similarity NPC236709
0.675 Remote Similarity NPC261351
0.6731 Remote Similarity NPC65985
0.6667 Remote Similarity NPC198377
0.6667 Remote Similarity NPC325165
0.6607 Remote Similarity NPC323945
0.6596 Remote Similarity NPC320624
0.6596 Remote Similarity NPC318951
0.6596 Remote Similarity NPC319680
0.6512 Remote Similarity NPC103612
0.6512 Remote Similarity NPC24967
0.6491 Remote Similarity NPC320296
0.6481 Remote Similarity NPC68743
0.6481 Remote Similarity NPC60830
0.6429 Remote Similarity NPC179624
0.641 Remote Similarity NPC301586
0.641 Remote Similarity NPC33415
0.6364 Remote Similarity NPC317945
0.6279 Remote Similarity NPC316685
0.6271 Remote Similarity NPC317651
0.6271 Remote Similarity NPC258690
0.625 Remote Similarity NPC292641
0.6222 Remote Similarity NPC128713
0.6154 Remote Similarity NPC320326
0.6098 Remote Similarity NPC320981
0.6071 Remote Similarity NPC3547
0.6053 Remote Similarity NPC165122
0.6034 Remote Similarity NPC17935
0.5952 Remote Similarity NPC187058
0.5952 Remote Similarity NPC182541
0.5952 Remote Similarity NPC197207
0.5952 Remote Similarity NPC149070
0.5952 Remote Similarity NPC212144
0.5952 Remote Similarity NPC127074
0.5897 Remote Similarity NPC3343
0.5873 Remote Similarity NPC32148
0.587 Remote Similarity NPC328950
0.5854 Remote Similarity NPC180423
0.5854 Remote Similarity NPC270334
0.5814 Remote Similarity NPC217218
0.5814 Remote Similarity NPC108238
0.5769 Remote Similarity NPC327542
0.5769 Remote Similarity NPC131770
0.5769 Remote Similarity NPC200618
0.5738 Remote Similarity NPC268243
0.5714 Remote Similarity NPC241404
0.5682 Remote Similarity NPC127142
0.5682 Remote Similarity NPC7814
0.5682 Remote Similarity NPC307027
0.566 Remote Similarity NPC93888
0.566 Remote Similarity NPC270805
0.5652 Remote Similarity NPC321569
0.5641 Remote Similarity NPC82694

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC100742 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 NPD8604 Approved
1.0 High Similarity NPD8605 Approved
1.0 High Similarity NPD8603 Approved
1.0 High Similarity NPD8602 Approved
1.0 High Similarity NPD8598 Approved
1.0 High Similarity NPD8600 Approved
1.0 High Similarity NPD8599 Approved
1.0 High Similarity NPD8601 Approved
0.7551 Intermediate Similarity NPD9010 Approved
0.7551 Intermediate Similarity NPD9008 Approved
0.7551 Intermediate Similarity NPD65 Approved
0.7551 Intermediate Similarity NPD8960 Approved
0.7551 Intermediate Similarity NPD9011 Approved
0.7551 Intermediate Similarity NPD9007 Approved
0.7551 Intermediate Similarity NPD9009 Approved
0.7551 Intermediate Similarity NPD64 Approved
0.7551 Intermediate Similarity NPD72 Approved
0.7551 Intermediate Similarity NPD66 Approved
0.7179 Intermediate Similarity NPD8205 Approved
0.7179 Intermediate Similarity NPD8202 Approved
0.7105 Intermediate Similarity NPD8619 Approved
0.7105 Intermediate Similarity NPD8617 Approved
0.7083 Intermediate Similarity NPD9005 Phase 3
0.7083 Intermediate Similarity NPD70 Approved
0.7083 Intermediate Similarity NPD9004 Approved
0.7083 Intermediate Similarity NPD9003 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD109 Approved
0.7083 Intermediate Similarity NPD9128 Approved
0.7083 Intermediate Similarity NPD9124 Approved
0.7083 Intermediate Similarity NPD9125 Approved
0.7083 Intermediate Similarity NPD9127 Approved
0.7083 Intermediate Similarity NPD9122 Approved
0.7083 Intermediate Similarity NPD9130 Phase 3
0.7083 Intermediate Similarity NPD9123 Approved
0.7083 Intermediate Similarity NPD108 Approved
0.7083 Intermediate Similarity NPD9121 Approved
0.6981 Remote Similarity NPD73 Approved
0.6939 Remote Similarity NPD71 Approved
0.6939 Remote Similarity NPD9126 Approved
0.6939 Remote Similarity NPD9129 Approved
0.6923 Remote Similarity NPD8618 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
0.6852 Remote Similarity NPD8959 Approved
0.6842 Remote Similarity NPD8593 Approved
0.6842 Remote Similarity NPD8594 Approved
0.6667 Remote Similarity NPD9002 Approved
0.6667 Remote Similarity NPD9001 Clinical (unspecified phase)
0.641 Remote Similarity NPD8549 Clinical (unspecified phase)
0.6275 Remote Similarity NPD8964 Approved
0.6271 Remote Similarity NPD8961 Approved
0.6098 Remote Similarity NPD8590 Approved
0.6053 Remote Similarity NPD8592 Approved
0.6053 Remote Similarity NPD8591 Approved
0.5952 Remote Similarity NPD8814 Phase 3
0.5932 Remote Similarity NPD9120 Clinical (unspecified phase)
0.5909 Remote Similarity NPD8596 Approved
0.5873 Remote Similarity NPD897 Approved
0.5873 Remote Similarity NPD896 Approved
0.5873 Remote Similarity NPD898 Approved
0.5778 Remote Similarity NPD8597 Approved
0.5682 Remote Similarity NPD8857 Approved
0.5682 Remote Similarity NPD900 Approved
0.566 Remote Similarity NPD8624 Approved
0.5641 Remote Similarity NPD8207 Approved

Structure

External Identifiers

PubChem CID   439655
ChEMBL   CHEMBL1200861
ZINC  

Physicochemical Properties

Molecular Weight:  150.02
ALogP:  -1.7144
MLogP:  1.24
XLogP:  -2.238
# Rotatable Bonds:  7
Polar Surface Area:  115.06
# H-Bond Aceptor:  6
# H-Bond Donor:  4
# Rings:  0
# Heavy Atoms:  10

Download Data

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Similar NPs/Drugs