Natural Product: NPC165122

Natural Product ID:  NPC165122
Common Name:   Glycolic Acid
IUPAC Name:   2-hydroxyacetic acid
Synonyms:   2-Hydroxyacetic Acid
Molecular Formula:   C2H4O3
Standard InCHIKey:  AEMRFAOFKBGASW-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
Canonical SMILES:  OCC(=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
NPO23600 Bridelia moonii Species Phyllanthaceae Eukaryota UNPD*
NPO26219 Sorbus coronata Species Rosaceae Eukaryota UNPD*
NPO15302 Acronychia acidula Species Rutaceae Eukaryota UNPD*
NPO14327 Scabiosa comosa Species Caprifoliaceae Eukaryota TCM_Taiwan*
NPO15997 Aglaia cordata Species Meliaceae Eukaryota UNPD*
NPO13028 Trichoscypha acuminata Species Anacardiaceae Eukaryota UNPD*
NPO17024 Vitis vinifera Species Vitaceae Eukaryota PMID[25518943]
NPO15628 Strychnos panamensis Species Loganiaceae Eukaryota UNPD*
NPO9257 Nephrolepis tuberosa Species Lomariopsidaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[24023812]
NPO14624 Pertusaria pseudocorallina Species Pertusariaceae Eukaryota UNPD*
NPO14467 Senecio taiwanensis Species Asteraceae Eukaryota UNPD*
NPO11261 Euclea natalensis Species Ebenaceae Eukaryota UNPD*
NPO4299 Michelia longifolia Species Magnoliaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[22411374]
NPO13356 Thalictrum fauriei Species Ranunculaceae Eukaryota UNPD*
NPO7859 Euonymus atropurpurea Species Celastraceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[22308371]
NPO9541 Suaeda salsa Species Chenopodiaceae Eukaryota UNPD*
NPO2997 Aloe africana Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[8412012]
NPO14873 Pityrodia ternifolia Species Lamiaceae Eukaryota UNPD*
NPO11578 Aloe vera Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[1507356]
NPO13232 Gaillardia tontalensis Species Asteraceae Eukaryota UNPD*
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota TM-MC*
NPO26721 Apium graveolens Species Apiaceae Eukaryota TCM_Taiwan*
NPO1836 Eupatorium recurvans Species Asteraceae Eukaryota UNPD*
NPO2837 Aloe spicata Species Asphodelaceae Eukaryota TM-MC*
NPO3353 Saccharum sinensis Species Poaceae Eukaryota TCM_Taiwan*
NPO12505 Stigmodera macularia Species Buprestidae Eukaryota UNPD*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TM-MC*
NPO1159 Artemisia laciniata Species Asteraceae Eukaryota UNPD*
NPO9145 Herbertus aduncus Species Herbertaceae Eukaryota UNPD*
NPO13481 Laurencia claviformis Species Rhodomelaceae Eukaryota UNPD*
NPO27213 Nephrolepis biserrata Species Lomariopsidaceae Eukaryota UNPD*
NPO15813 Spiraea formosa Species Rosaceae Eukaryota UNPD*
NPO7047 Psiadia arabica Species Asteraceae Eukaryota UNPD*
NPO6038 Acanthamoeba culbertsoni Species Acanthamoebidae Eukaryota UNPD*
NPO22561 Dickeya chrysanthemi Species Pectobacteriaceae Bacteria UNPD*
NPO14205 Uraria picta Species Fabaceae Eukaryota UNPD*
NPO12805 Othonna intermedia Species Asteraceae Eukaryota UNPD*
NPO15410 Erlangea cordifolia Species Asteraceae Eukaryota UNPD*
NPO2740 Pteris plumbea Species Pteridaceae Eukaryota UNPD*
NPO14746 Uroblaniulus canadensis Species Parajulidae Eukaryota UNPD*
NPO15092 Alternaria infectoria Species Pleosporaceae Eukaryota UNPD*
NPO2661 Heterotropa savatieri NA NA NA UNPD*
NPO13895 Sessibugula translucens NA NA NA UNPD*
NPO7672 Senna tora Species Fabaceae Eukaryota UNPD*
NPO1395 Ampelopsis hederacea Species Vitaceae Eukaryota UNPD*
NPO15723 Bupleurum aureum Species Apiaceae Eukaryota UNPD*
NPO15398 Rhizopus stolonifer Species Rhizopodaceae Eukaryota UNPD*
NPO14893 Streptomyces eurocidicus Species Streptomycetaceae Bacteria UNPD*
NPO19391 Senecio aegyptius Species Asteraceae Eukaryota UNPD*
NPO8604 Helichrysum zeyheri Species Asteraceae Eukaryota UNPD*
NPO10595 Othonna cylindrica Species Asteraceae Eukaryota UNPD*
NPO10093 Castanopsis hystrix Species Fagaceae Eukaryota UNPD*
NPO25076 Salicornia herbacea Species Chenopodiaceae Eukaryota UNPD*
NPO4162 Daphnandra tenuipes Species Atherospermataceae Eukaryota UNPD*
NPO15903 Goupia tomentosa Species Goupiaceae Eukaryota UNPD*
NPO16742.1 Syringa pubescens subsp. patula Subspecies Oleaceae Eukaryota UNPD*
NPO12291 Rhodococcus ruber Species Nocardiaceae Bacteria UNPD*
NPO5123 Liparis hachijoensis Species Liparidae Eukaryota UNPD*
NPO188 Ficus infectoria Species Ficidae Eukaryota UNPD*
NPO12029 Sicana odorifera Species Cucurbitaceae Eukaryota UNPD*
NPO11796 Morus australis Species Moraceae Eukaryota UNPD*
NPO14061 Tetraploa aristata Species Tetraplosphaeriaceae Eukaryota UNPD*
NPO13749 Luvunga scandens Species Rutaceae Eukaryota UNPD*
NPO11598 Callitris macleayana Species Cupressaceae Eukaryota UNPD*
NPO14334 Picea jezoensis Species Pinaceae Eukaryota UNPD*
NPO5208 Ligusticum lucidum Species Apiaceae Eukaryota UNPD*
NPO9204 Streptomyces argillaceus Species Streptomycetaceae Bacteria UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 33587.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3063.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5494.1 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 NPC165122 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
0.8148 Intermediate Similarity NPC316272
0.7931 Intermediate Similarity NPC76217
0.7931 Intermediate Similarity NPC307739
0.76 Intermediate Similarity NPC307812
0.7333 Intermediate Similarity NPC329270
0.7188 Intermediate Similarity NPC325165
0.7083 Intermediate Similarity NPC301950
0.697 Remote Similarity NPC5505
0.697 Remote Similarity NPC159089
0.697 Remote Similarity NPC103612
0.697 Remote Similarity NPC24967
0.6957 Remote Similarity NPC149567
0.6667 Remote Similarity NPC68873
0.6429 Remote Similarity NPC82694
0.6389 Remote Similarity NPC316217
0.6389 Remote Similarity NPC222792
0.625 Remote Similarity NPC261351
0.625 Remote Similarity NPC212144
0.6207 Remote Similarity NPC286233
0.6129 Remote Similarity NPC232172
0.6053 Remote Similarity NPC97444
0.6053 Remote Similarity NPC192402
0.6053 Remote Similarity NPC35661
0.6053 Remote Similarity NPC322956
0.6053 Remote Similarity NPC19044
0.6053 Remote Similarity NPC100742
0.6053 Remote Similarity NPC325307
0.6053 Remote Similarity NPC121018
0.6053 Remote Similarity NPC24751
0.6 Remote Similarity NPC7922
0.6 Remote Similarity NPC137050
0.6 Remote Similarity NPC283245
0.5938 Remote Similarity NPC198126
0.5926 Remote Similarity NPC181153
0.575 Remote Similarity NPC318951
0.575 Remote Similarity NPC319680
0.5714 Remote Similarity NPC23508
0.5625 Remote Similarity NPC292641
0.5625 Remote Similarity NPC270334
0.561 Remote Similarity NPC38891
0.561 Remote Similarity NPC242655

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC165122 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
0.8214 Intermediate Similarity NPD55 Approved
0.8214 Intermediate Similarity NPD8204 Approved
0.8214 Intermediate Similarity NPD8206 Approved
0.8214 Intermediate Similarity NPD54 Approved
0.8214 Intermediate Similarity NPD8203 Approved
0.7931 Intermediate Similarity NPD8205 Approved
0.7931 Intermediate Similarity NPD8202 Approved
0.7826 Intermediate Similarity NPD7356 Approved
0.7826 Intermediate Similarity NPD7357 Approved
0.7083 Intermediate Similarity NPD7352 Approved
0.6957 Remote Similarity NPD7374 Approved
0.6667 Remote Similarity NPD7364 Approved
0.6429 Remote Similarity NPD8207 Approved
0.6207 Remote Similarity NPD8189 Approved
0.6129 Remote Similarity NPD8617 Approved
0.6129 Remote Similarity NPD8619 Approved
0.6053 Remote Similarity NPD8598 Approved
0.6053 Remote Similarity NPD8605 Approved
0.6053 Remote Similarity NPD8602 Approved
0.6053 Remote Similarity NPD8600 Approved
0.6053 Remote Similarity NPD8604 Approved
0.6053 Remote Similarity NPD8601 Approved
0.6053 Remote Similarity NPD8599 Approved
0.6053 Remote Similarity NPD8603 Approved
0.5938 Remote Similarity NPD8618 Approved
0.5926 Remote Similarity NPD8201 Phase 2

Structure

External Identifiers

PubChem CID   757;3698251
ChEMBL   CHEMBL252557
ZINC  

Physicochemical Properties

Molecular Weight:  76.02
ALogP:  -0.9019
MLogP:  1.35
XLogP:  -1.117
# Rotatable Bonds:  3
Polar Surface Area:  57.53
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  5

Download Data

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