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

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

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Carotenoid metabolites
Sub-class
Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
β-CaroteneTerpenoidsCarotenoidsNot AvailableShow Food Phytochemical

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
β-CaroteneApricotFruit, Drupes PublicationsShow
β-CaroteneAsparagusVegetables, Other vegetables PublicationsShow
β-CaroteneAvocadoVegetables, Fruit vegetables PublicationsShow
β-CaroteneBananaFruit, Tropical fruits PublicationsShow
β-CaroteneBell pepper (Capsicum annuum, mild varieties)Vegetables, Fruit vegetables PublicationsShow
β-CaroteneBroccoliVegetables, Cabbages PublicationsShow
β-CaroteneBrussel sproutsVegetables, Cabbages PublicationsShow
β-CaroteneButternut squashVegetables, Gourds PublicationsShow
β-CaroteneCarrotVegetables, Root vegetables PublicationsShow
β-CaroteneCherry tomatoVegetables, Fruit vegetables PublicationsShow
β-CaroteneCommon cabbageVegetables, Cabbages PublicationsShow
β-CaroteneCommon peaPulses and beans PublicationsShow
β-CaroteneEndiveVegetables, Leaf vegetables PublicationsShow
β-CaroteneEuropean plumFruit, Drupes PublicationsShow
β-CaroteneGarden cressVegetables, Leaf vegetables PublicationsShow
β-CaroteneGreen beanVegetables, Other vegetables PublicationsShow
β-CaroteneHot chili (Capsicum annuum, C. frutescens)Vegetables, Fruit vegetables PublicationsShow
β-CaroteneKaleVegetables, Cabbages PublicationsShow
β-CaroteneLeekVegetables, Onion-family PublicationsShow
β-CaroteneLettuceVegetables, Leaf vegetables PublicationsShow
β-CaroteneMandarin orange (Clementine, Tangerine)Fruit, Citrus PublicationsShow
β-CaroteneMangoFruit, Tropical fruits PublicationsShow
β-CaroteneNectarineFruit, Drupes PublicationsShow
β-CarotenePapayaFruit, Tropical fruits PublicationsShow
β-CarotenePeachFruit, Drupes PublicationsShow
β-CarotenePumpkinVegetables, Gourds PublicationsShow
β-CaroteneRocket saladVegetables, Leaf vegetables PublicationsShow
β-CaroteneSpinachVegetables, Leaf vegetables PublicationsShow
β-CaroteneSweet orangeFruit, Citrus PublicationsShow
β-CaroteneSweet potatoVegetables, Tubers PublicationsShow
β-CaroteneSwiss chardVegetables, Leaf vegetables PublicationsShow
β-CaroteneTomatoVegetables, Fruit vegetables PublicationsShow
β-CaroteneWatermelonVegetables, Gourds PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
β-Carotene 13-apo-β-carotenonehumanplasma (minor)host metabolismNot AvailableNot AvailableNot AvailableC18H26O258.198365457 Detailed Intervention Studies Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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