Natural Product: ENC000126

NPs Basic Information

Download MOL File
Name
Uridine
Molecular Formula C9H12N2O6
IUPAC Name*
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
InChIKey
DRTQHJPVMGBUCF-XVFCMESISA-N
Synonyms
uridine; 58-96-8; Uridin; Uracil riboside; 1-beta-D-Ribofuranosyluracil; Uracil, 1-beta-D-ribofuranosyl-; beta-Uridine; d-uridine; b-Uridine; NSC 20256; 1-.beta.-D-Ribofuranosyluracil; CHEBI:16704; Urd; AI3-52690; 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione; WHI7HQ7H85; MLS000069625; NSC-20256; SMR000058222; MFCD00006526; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione; 1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione; 1-beta-D-Ribofuranosylpyrimidine-2,4(1H,3H)-dione (Uridine); 1-((2R,3R,4S,5R)-tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)furan-2-yl)pyrimidine-2,4(1H,3H)-dione; 3083-77-0; EINECS 200-407-5; UNII-WHI7HQ7H85; araU; NSC20256; d-Ribosyl uracil; .beta.-Uridine; Uridine,(S); 1af2; 4jx9; 4pd6; Opera_ID_118; URIDINE [INCI]; Uridine, >=99%; URIDINE [MI]; URIDINE [MART.]; 1-b-D-Ribofuranosyluracil; URIDINE [USP-RS]; URIDINE [WHO-DD]; 1-A-D-Ribofuranosyluracil; bmse000158; bmse000816; bmse000864; Epitope ID:149164; 1-.beta.-D-Ribofuranosyl-2,4(1H,3H)-pyrimidinedione; beta-D-ribofuranosyl-uridine; SCHEMBL20667; Uracil-1-A-D-ribofuranoside; rg2417; Uridine, BioUltra, >=99%; URIDINE [USP IMPURITY]; CHEMBL100259; GTPL4566; 1-beta-delta-Ribofuranosyluracil; DTXSID40891555; Uracil-1-.beta.-d-ribofuranoside; HMS2230P13; HMS3884M20; HY-B1449; ZINC2583633; BDBM50088517; s2029; AKOS015896922; AM83934; CCG-214447; CS-5153; DB02745; SMP1_000029; NCGC00017312-02; NCGC00017312-04; NCGC00017312-05; NCGC00142368-01; 1-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dihydropyrimi dine-2,4-dione; DS-14345; SRI-10895_12; Uridine, Vetec(TM) reagent grade, 99%; ADENOSINE IMPURITY F [EP IMPURITY]; DB-030519; U0020; C00299; EN300-221746; 1-b-D-Ribofuranosyl-2,4(1H,3H)-pyrimidinedione; b-D-Ribofuranoside 2,4(1H,3H)-pyrimidinedione-1; Q422573; BRD-K13050303-001-18-1; Uridine, powder, BioReagent, suitable for cell culture; .beta.-D-Ribofuranoside, 2,4(1H,3H)-pyrimidinedione-1; 1-beta-delta-Ribofuranosyl-2,4(1H,3H)-pyrimidinedione; 6B6FA3F8-70A2-44EA-B99C-D35D0A9237AA; beta-delta-Ribofuranoside 2,4(1H,3H)-pyrimidinedione-1; Z1741976658; 1-.BETA.-D-RIBOFURANOSYLPYRIMIDINE-2,4(1H,3H)-DIONE; 1-beta-D-Ribofuranosyluracil, Uracil-1-beta-D-ribofuranoside; Uridine, United States Pharmacopeia (USP) Reference Standard; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
CAS 58-96-8
PubChem CID 6029
ChEMBL ID CHEMBL100259
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Nucleosides, nucleotides,
      • Class: Pyrimidine nucleosides
        • Subclass: No Rank at Level Subclass
          • Direct Parent: Pyrimidine nucleosides

ClassyFire Version 1.0
PMID:27867422

NPs Species Source

Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference
Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference

NPs Content

*Note: The vaules in Content Percentage are calculated by dividing the content value by the maximum content value in NP Content.
**Note: The units with different NP content, due to their incomparable values, are separated into different tables.

NPs Biological Activity

Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name
Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name

NPs Physi-Chem Properties

Molecular Weight: 244.2 ALogp: -2.0
HBD: 4 HBA: 6
Rotatable Bonds: 2 Lipinski's rule of five: Accepted
Polar Surface Area: 119.0 Aromatic Rings: 2
Heavy Atoms: 17 QED Weighted: 0.464

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -6.077 MDCK Permeability: 0.00023342
Pgp-inhibitor: 0.001 Pgp-substrate: 0.01
Human Intestinal Absorption (HIA): 0.856 20% Bioavailability (F20%): 0.839
30% Bioavailability (F30%): 0.982

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.41 Plasma Protein Binding (PPB): 13.82%
Volume Distribution (VD): 0.385 Fu: 79.15%

ADMET: Metabolism

CYP1A2-inhibitor: 0.011 CYP1A2-substrate: 0.083
CYP2C19-inhibitor: 0.024 CYP2C19-substrate: 0.047
CYP2C9-inhibitor: 0.001 CYP2C9-substrate: 0.092
CYP2D6-inhibitor: 0.015 CYP2D6-substrate: 0.093
CYP3A4-inhibitor: 0.004 CYP3A4-substrate: 0.024

ADMET: Excretion

Clearance (CL): 6.413 Half-life (T1/2): 0.847

ADMET: Toxicity

hERG Blockers: 0.008 Human Hepatotoxicity (H-HT): 0.756
Drug-inuced Liver Injury (DILI): 0.986 AMES Toxicity: 0.096
Rat Oral Acute Toxicity: 0.004 Maximum Recommended Daily Dose: 0.005
Skin Sensitization: 0.043 Carcinogencity: 0.034
Eye Corrosion: 0.003 Eye Irritation: 0.015
Respiratory Toxicity: 0.012
*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

Similar NPs Similar Drugs
NPs ID NPs 2D Structure Similarity Score TTD ID Drug 2D Structure Similarity Score
ENC005638 0.506 D0Y7DP 1.000
ENC005639 0.506 D07XSN 0.614
ENC002576 0.488 D03TGJ 0.587
ENC000635 0.435 D09FAZ 0.508
ENC000120 0.394 D0G5AG 0.469
ENC000661 0.351 D03KXY 0.444
ENC005772 0.342 D06IAR 0.435
ENC004076 0.329 D0NI0C 0.435
ENC001067 0.328 D0H3WI 0.415
ENC002667 0.325 D0F2XQ 0.403
*Note: the compound similarity was calculated by RDKIT.