Nonan-1-Ol
Identification
- Name
- Nonan-1-Ol
- Accession Number
- DB03143
- Description
- Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Nonan-1-Ol (DB03143)
- Weight
- Average: 144.2545
Monoisotopic: 144.151415262 - Chemical Formula
- C9H20O
- Synonyms
- Not Available
- External IDs
- FEMA NO. 2789
Pharmacology
- Indication
- Not Available
- Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism UATP synthase subunit c, sodium ion specific Not Available Propionigenium modestum - Absorption
- Not Available
- Volume of distribution
- Not Available
- Protein binding
- Not Available
- Metabolism
- Not Available
- Route of elimination
- Not Available
- Half-life
- Not Available
- Clearance
- Not Available
- Adverse Effects
Learn about our commercial Adverse Effects data.
Learn More- Toxicity
- Not Available
- Affected organisms
- Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Fatty Acyls
- Sub Class
- Fatty alcohols
- Direct Parent
- Fatty alcohols
- Alternative Parents
- Primary alcohols / Hydrocarbon derivatives
- Substituents
- Alcohol / Aliphatic acyclic compound / Fatty alcohol / Hydrocarbon derivative / Organic oxygen compound / Organooxygen compound / Primary alcohol
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- fatty alcohol (CHEBI:35986) / Fatty alcohols (LMFA05000092)
Chemical Identifiers
- UNII
- NGK73Q6XMC
- CAS number
- 28473-21-4
- InChI Key
- ZWRUINPWMLAQRD-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
- IUPAC Name
- nonan-1-ol
- SMILES
- CCCCCCCCCO
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0031265
- KEGG Compound
- C14696
- PubChem Compound
- 8914
- PubChem Substance
- 46506750
- ChemSpider
- 8574
- BindingDB
- 22607
- ChEBI
- 35986
- ChEMBL
- CHEMBL24563
- ZINC
- ZINC000001686993
- PDBe Ligand
- F09
- PDB Entries
- 1k4c / 1k4d / 1r3i / 1r3j / 1r3l / 1s5h / 1yce / 1znk / 1zwi / 2atk … show 23 more
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.15 mg/mL ALOGPS logP 3.76 ALOGPS logP 3.03 ChemAxon logS -3 ALOGPS pKa (Strongest Acidic) 16.84 ChemAxon pKa (Strongest Basic) -2 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 1 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 20.23 Å2 ChemAxon Rotatable Bond Count 7 ChemAxon Refractivity 45.14 m3·mol-1 ChemAxon Polarizability 19.52 Å3 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter No ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9947 Blood Brain Barrier + 0.9579 Caco-2 permeable + 0.7688 P-glycoprotein substrate Non-substrate 0.618 P-glycoprotein inhibitor I Non-inhibitor 0.9201 P-glycoprotein inhibitor II Non-inhibitor 0.9092 Renal organic cation transporter Non-inhibitor 0.8735 CYP450 2C9 substrate Non-substrate 0.7931 CYP450 2D6 substrate Non-substrate 0.8437 CYP450 3A4 substrate Non-substrate 0.7094 CYP450 1A2 substrate Non-inhibitor 0.5 CYP450 2C9 inhibitor Non-inhibitor 0.8798 CYP450 2D6 inhibitor Non-inhibitor 0.9262 CYP450 2C19 inhibitor Non-inhibitor 0.933 CYP450 3A4 inhibitor Non-inhibitor 0.9142 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.8928 Ames test Non AMES toxic 0.9872 Carcinogenicity Non-carcinogens 0.5579 Biodegradation Ready biodegradable 0.8849 Rat acute toxicity 1.5561 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.8578 hERG inhibition (predictor II) Non-inhibitor 0.7525
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Targets
- Kind
- Protein
- Organism
- Propionigenium modestum
- Pharmacological action
- Unknown
- General Function
- Lipid binding
- Specific Function
- F(1)F(0) ATP synthase produces ATP from ADP in the presence of a proton or sodium gradient. F-type ATPases consist of two structural domains, F(1) containing the extramembraneous catalytic core and...
- Gene Name
- atpE
- Uniprot ID
- P21905
- Uniprot Name
- ATP synthase subunit c, sodium ion specific
- Molecular Weight
- 8731.24 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Drug created on June 13, 2005 07:24 / Updated on June 12, 2020 10:52