Identification

PhytoHub ID
PHUB002522
Name
Kahweofuran
Systematic Name
Not Available
Synonyms
  • 2,3-Dihydro-6-methylthieno[2,3-c]furan
  • 4-Methyl-3-oxa-6-thiabicyclo[3.3.0]octa-1,4-diene
CAS Number
26693-24-3
Average Mass
140.2
Monoisotopic Mass
140.029586052
Chemical Formula
C7H8OS
IUPAC Name
Not Available
InChI Key
WQOKVCDOEDFSAJ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C7H8OS/c1-5-7-6(4-8-5)2-3-9-7/h4H,2-3H2,1H3
SMILES
CC1=C2SCCC2=CO1
Structure

Calculated Properties

Solubility (ALOGPS)
2.91e-01 g/l
LogS (ALOGPS)
-2.68
LogP (ALOGPS)
2.30
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
13.14
Refractivity
39.8388
Polarizability
14.834572979456029
Formal Charge
Not Available
Physiological Charge
Not Available
pKa (strongest basic)
-2.705758759069871
pKa (strongest acidic)
Not Available
Number of Rings
Not Available
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Not Available
Class
Not Available
Sub-class
Not Available

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Thioethers
Super-class
Organosulfur compounds
Sub-class
Aryl thioethers
Direct Parent Name
Aryl thioethers
Alternative Parent Names
["Alkylarylthioethers", "Furans", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organooxygen compounds", "Oxacyclic compounds"]
External Descriptor Annotations
Not Available
Substituent Names
["Alkylarylthioether", "Aromatic heteropolycyclic compound", "Aryl thioether", "Furan", "Heteroaromatic compound", "Hydrocarbon derivative", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle"]

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
CoffeeCoffee and coffee products PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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