precursor

Showing entry for adlupulone

Identification

PhytoHub ID
PHUB002492
Name
adlupulone
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
28374-71-2
Average Mass
414.586
Monoisotopic Mass
414.277009704
Chemical Formula
C26H38O4
IUPAC Name
Not Available
InChI Key
QXPOWGXRDUFAQW-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C26H38O4/c1-9-19(8)22(27)21-23(28)20(11-10-16(2)3)24(29)26(25(21)30,14-12-17(4)5)15-13-18(6)7/h10,12-13,19,28-29H,9,11,14-15H2,1-8H3
SMILES
CCC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
8.12e-03 g/l
LogS (ALOGPS)
-4.71
LogP (ALOGPS)
4.42
Hydrogen Acceptors
Not Available
Hydrogen Donors
Not Available
Rotatable Bond Count
Not Available
Polar Surface Area
Not Available
Refractivity
Not Available
Polarizability
Not Available
Formal Charge
Not Available
Physiological Charge
Not Available
pKa (strongest basic)
Not Available
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
Miscellaneous phytochemicals
Class
Miscellaneous phytochemicals
Sub-class
Not Available

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
BeerBeverages, Alcoholic 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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