Natural Product: NPC234306

Natural Product ID:  NPC234306
Common Name:   Methyl Alcohol
IUPAC Name:   methanol
Synonyms:   Methyl alcohol
Molecular Formula:   CH4O
Standard InCHIKey:  OKKJLVBELUTLKV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/CH4O/c1-2/h2H,1H3
Canonical SMILES:  CO
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
NPO1797 Homo sapiens Species Hominidae Eukaryota blood Baselt, RC. Disposition of toxic drugs and chemicals in man. 1982. 2nd edition. Biomedical Publications. Davis, CA.
NPO1797 Homo sapiens Species Hominidae Eukaryota DOI[10.1038/nbt.2488]
NPO1797 Homo sapiens Species Hominidae Eukaryota breast milk PMID[24027187]
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[19167006]
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[18502700]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[21389975]
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[19259987]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO30193 Mycoplasma genitalium Species Mycoplasmataceae Bacteria PMID[22817898]
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO10477 Bomboo juice NA NA NA TCMSP*
NPO19092 Morindae officinalis radix NA NA NA TCMSP*
NPO16850 Eucommia ulmoides Species Eucommiaceae Eukaryota TCMID*
NPO3381 Swertia hickinii Species Gentianaceae Eukaryota TCMID*
NPO10597 Fructus syzygii NA NA NA TCMID*
NPO7191 Mimosa pudica Species Fabaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 1258.9 nM PubChem BioAssay data set
NPT700 Individual Protein UDP-glucuronosyltransferase 2B10 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT701 Individual Protein UDP-glucuronosyltransferase 2B4 Homo sapiens Activity = 0.17 pm/min/mg 10836148
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 42163.2 nM PubChem BioAssay data set
NPT561 Organism Tetrahymena pyriformis Tetrahymena pyriformis GI50 = 2159732.68 nM 10.1007/s00044-009-9166-z
NPT562 Organism Colletotrichum gloeosporioides Colletotrichum gloeosporioides EC50 = 24687 ug/ml 12926880
NPT562 Organism Colletotrichum gloeosporioides Colletotrichum gloeosporioides EC50 = 776247116.6 nM 12926880
NPT2 Others Unspecified Potency 6817.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6075.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1693 nM PubChem BioAssay data set
NPT2 Others Unspecified Activity = 4.7 nM 25668638
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 0 mm 25668638
NPT314 Organism Bacillus cereus Bacillus cereus IZ = 0 mm 25668638
NPT19 Organism Escherichia coli Escherichia coli IZ = 0 mm 25668638
NPT2 Others Unspecified Potency 8485.2 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 NPC234306 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
0.6429 Remote Similarity NPC2724

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC234306 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
NPD

Structure

External Identifiers

PubChem CID   887
ChEMBL   CHEMBL14688
ZINC  

Physicochemical Properties

Molecular Weight:  32.03
ALogP:  -0.358
MLogP:  1.46
XLogP:  -0.499
# Rotatable Bonds:  1
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  2

Download Data

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