13-apo-β-carotenone
Showing entry for 13-apo-β-carotenone
Identification
- PhytoHub ID
- PHUB003044
- Name
- 13-apo-β-carotenone
- Systematic Name
- 13-apo-β-caroten-12-one
- Synonyms
- 13-apo-beta-carotenone
- beta-Apo-13-carotenone
- CAS Number
- 85354-07-0
- Average Mass
- 258.405
- Monoisotopic Mass
- 258.198365457
- Chemical Formula
- C18H26O
- IUPAC Name
- Not Available
- InChI Key
- UBTNVRPIHJRBCI-LUXGDSJYSA-N
- InChI Identifier
InChI=1S/C18H26O/c1-14(8-6-10-16(3)19)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10-12H,7,9,13H2,1-5H3/b10-6+,12-11+,14-8+
- SMILES
CC(=O)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
- Structure
Structure for 13-apo-β-carotenone
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- 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 Metabolite
- Family
- Terpenoid metabolites
- Class
- Carotenoid metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| β-Carotene | Terpenoids | Carotenoids | Not Available | Show Food Phytochemical |
Spectra from Phytohub
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found