Natural Product: NPC307739

Natural Product ID:  NPC307739
Common Name:   D-Lactic Acid
IUPAC Name:   (2R)-2-hydroxypropanoic acid
Synonyms:   Lactate
Molecular Formula:   C3H6O3
Standard InCHIKey:  JVTAAEKCZFNVCJ-UWTATZPHSA-N
Standard InCHI:  InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1
Canonical SMILES:  OC(=O)[C@H](O)C
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
NPO16381 Taraxacum rubicundum Species Asteraceae Eukaryota UNPD*
NPO1228 Radix rhei et rhizome Species Lymnaeidae Eukaryota TCMSP*
NPO21889 Pollen typhae NA NA NA TCMSP*
NPO18195 Maydis seigma 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*
NPO28679 Prunus mume Species Rosaceae Eukaryota TM-MC*
NPO10267 Pseudocyphellaria nitida Species Lobariaceae Eukaryota UNPD*
NPO2466 Aloe microstigma Species Asphodelaceae Eukaryota UNPD*
NPO28178 Artemisia tridentata Species Asteraceae Eukaryota UNPD*
NPO22464 Tecoma grandis Species Bignoniaceae Eukaryota UNPD*
NPO23206 Senegalia caffra Species Fabaceae Eukaryota UNPD*
NPO28350 Hypsizigus marmoreus NA NA NA UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[14452708]
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[9818465]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[1456422]
NPO28463 Penicillium gilmanii Species Aspergillaceae Eukaryota UNPD*
NPO10176 Chrozophora prostrata Species Euphorbiaceae Eukaryota UNPD*
NPO28108 Stereum princeps Species Stereaceae Eukaryota UNPD*
NPO27851 Leptothorax muscorum Species Formicidae Eukaryota UNPD*
NPO13744 Dendrobates leucomelas Species Dendrobatidae Eukaryota UNPD*
NPO7312 Aplidium multiplicatum Species Polyclinidae Eukaryota UNPD*
NPO14767 Lepraria flava Species Stereocaulaceae Eukaryota UNPD*
NPO28560 Sarcomelicope glauca Species Rutaceae Eukaryota UNPD*
NPO9498 Papaver somniferum Species Papaveraceae Eukaryota UNPD*
NPO29474 Bipolaris victoriae Species Pleosporaceae Eukaryota UNPD*
NPO28230 Stemona japonica Species Stemonaceae Eukaryota UNPD*
NPO28407 Clausena heptaphylla Species Rutaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT873 Individual Protein Monocarboxylate transporter 2 Homo sapiens Activity = 10 % 9786900
NPT706 Individual Protein Monocarboxylate transporter 1 Rattus norvegicus Activity = 30 % 9786900
NPT622 Individual Protein Solute carrier organic anion transporter family member 2B1 Homo sapiens Activity = 85.6 % 12724351
NPT1029 Individual Protein Solute carrier organic anion transporter family member 2A1 Homo sapiens Ki = 48000000 nM 11997326
NPT1510 Individual Protein Alpha-ketoglutarate-dependent dioxygenase FTO Homo sapiens IC50 > 1000000 nM 23547775
NPT2 Others Unspecified Potency 47952.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3052 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 107352.7 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 NPC307739 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 NPC76217
0.8788 High Similarity NPC5505
0.8485 Intermediate Similarity NPC325165
0.8235 Intermediate Similarity NPC159089
0.8235 Intermediate Similarity NPC103612
0.8235 Intermediate Similarity NPC24967
0.8056 Intermediate Similarity NPC222792
0.8056 Intermediate Similarity NPC316217
0.7931 Intermediate Similarity NPC165122
0.7667 Intermediate Similarity NPC286233
0.7576 Intermediate Similarity NPC212144
0.7576 Intermediate Similarity NPC261351
0.75 Intermediate Similarity NPC270334
0.725 Intermediate Similarity NPC319680
0.7188 Intermediate Similarity NPC316272
0.7179 Intermediate Similarity NPC100742
0.7179 Intermediate Similarity NPC24751
0.7179 Intermediate Similarity NPC121018
0.7179 Intermediate Similarity NPC322956
0.7179 Intermediate Similarity NPC192402
0.7179 Intermediate Similarity NPC97444
0.7179 Intermediate Similarity NPC325307
0.7179 Intermediate Similarity NPC35661
0.7179 Intermediate Similarity NPC19044
0.7 Intermediate Similarity NPC114270
0.697 Remote Similarity NPC292641
0.6944 Remote Similarity NPC250870
0.6944 Remote Similarity NPC168052
0.6944 Remote Similarity NPC191084
0.6897 Remote Similarity NPC181153
0.6774 Remote Similarity NPC140389
0.6774 Remote Similarity NPC82694
0.6667 Remote Similarity NPC38891
0.6667 Remote Similarity NPC242655
0.65 Remote Similarity NPC320331
0.6452 Remote Similarity NPC157340
0.6429 Remote Similarity NPC320624
0.6429 Remote Similarity NPC318951
0.6286 Remote Similarity NPC5934
0.6286 Remote Similarity NPC198126
0.6216 Remote Similarity NPC307027
0.6216 Remote Similarity NPC127142
0.6176 Remote Similarity NPC88135
0.6129 Remote Similarity NPC307812
0.6111 Remote Similarity NPC329270
0.6087 Remote Similarity NPC328954
0.6061 Remote Similarity NPC149209
0.6061 Remote Similarity NPC127134
0.6061 Remote Similarity NPC230726
0.6061 Remote Similarity NPC314668
0.6053 Remote Similarity NPC316685
0.6 Remote Similarity NPC328950
0.5882 Remote Similarity NPC320326
0.5882 Remote Similarity NPC272307
0.5862 Remote Similarity NPC68873
0.5833 Remote Similarity NPC320981
0.5814 Remote Similarity NPC228782
0.5814 Remote Similarity NPC313565
0.5814 Remote Similarity NPC259982
0.5806 Remote Similarity NPC299484
0.5758 Remote Similarity NPC41485
0.5758 Remote Similarity NPC88887
0.5758 Remote Similarity NPC32280
0.575 Remote Similarity NPC317945
0.575 Remote Similarity NPC109026
0.5714 Remote Similarity NPC301586
0.5714 Remote Similarity NPC277878
0.5714 Remote Similarity NPC33415
0.5676 Remote Similarity NPC281883
0.5667 Remote Similarity NPC301950
0.5667 Remote Similarity NPC163707
0.5641 Remote Similarity NPC317203
0.5625 Remote Similarity NPC39977
0.5625 Remote Similarity NPC8187
0.561 Remote Similarity NPC38930
0.56 Remote Similarity NPC19676
0.56 Remote Similarity NPC196612
0.56 Remote Similarity NPC323401

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC307739 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 NPD8205 Approved
1.0 High Similarity NPD8202 Approved
0.9655 High Similarity NPD8204 Approved
0.9655 High Similarity NPD8206 Approved
0.9655 High Similarity NPD8203 Approved
0.9655 High Similarity NPD55 Approved
0.9655 High Similarity NPD54 Approved
0.7667 Intermediate Similarity NPD8189 Approved
0.7179 Intermediate Similarity NPD8602 Approved
0.7179 Intermediate Similarity NPD8601 Approved
0.7179 Intermediate Similarity NPD8604 Approved
0.7179 Intermediate Similarity NPD8603 Approved
0.7179 Intermediate Similarity NPD8605 Approved
0.7179 Intermediate Similarity NPD8598 Approved
0.7179 Intermediate Similarity NPD8600 Approved
0.7179 Intermediate Similarity NPD8599 Approved
0.7 Intermediate Similarity NPD8225 Phase 3
0.6897 Remote Similarity NPD8201 Phase 2
0.6774 Remote Similarity NPD8207 Approved
0.6471 Remote Similarity NPD8617 Approved
0.6471 Remote Similarity NPD8619 Approved
0.6452 Remote Similarity NPD8226 Approved
0.6333 Remote Similarity NPD8190 Phase 2
0.6286 Remote Similarity NPD8618 Approved
0.6286 Remote Similarity NPD8856 Phase 2
0.6207 Remote Similarity NPD7356 Approved
0.6207 Remote Similarity NPD7357 Approved
0.6061 Remote Similarity NPD8989 Approved
0.5862 Remote Similarity NPD7364 Approved
0.5862 Remote Similarity NPD8200 Phase 2
0.5833 Remote Similarity NPD8590 Approved
0.5714 Remote Similarity NPD9009 Approved
0.5714 Remote Similarity NPD64 Approved
0.5714 Remote Similarity NPD65 Approved
0.5714 Remote Similarity NPD9007 Approved
0.5714 Remote Similarity NPD8960 Approved
0.5714 Remote Similarity NPD66 Approved
0.5714 Remote Similarity NPD9011 Approved
0.5714 Remote Similarity NPD9008 Approved
0.5714 Remote Similarity NPD8549 Clinical (unspecified phase)
0.5714 Remote Similarity NPD72 Approved
0.5714 Remote Similarity NPD9010 Approved
0.5676 Remote Similarity NPD9636 Phase 2
0.5667 Remote Similarity NPD7352 Approved
0.5667 Remote Similarity NPD8224 Approved

Structure

External Identifiers

PubChem CID   61503
ChEMBL   CHEMBL358850
ZINC  

Physicochemical Properties

Molecular Weight:  90.03
ALogP:  -0.8059
MLogP:  1.46
XLogP:  -0.591
# Rotatable Bonds:  4
Polar Surface Area:  57.53
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  6

Download Data

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Similar NPs/Drugs