adlupulone
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
Structure for adlupulone
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
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Miscellaneous phytochemicals
- Class
- Miscellaneous phytochemicals
- Sub-class
- Not Available
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Beer | Beverages, Alcoholic | Publications | Show |
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