PhytoHub: Showing entry for 13-apo-β-carotenone

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

Similar Structures

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

	Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
β-Carotene	Apricot	Fruit, Drupes	Publications	Show
β-Carotene	Asparagus	Vegetables, Other vegetables	Publications	Show
β-Carotene	Avocado	Vegetables, Fruit vegetables	Publications	Show
β-Carotene	Banana	Fruit, Tropical fruits	Publications	Show
β-Carotene	Bell pepper (Capsicum annuum, mild varieties)	Vegetables, Fruit vegetables	Publications	Show
β-Carotene	Broccoli	Vegetables, Cabbages	Publications	Show
β-Carotene	Brussel sprouts	Vegetables, Cabbages	Publications	Show
β-Carotene	Butternut squash	Vegetables, Gourds	Publications	Show
β-Carotene	Carrot	Vegetables, Root vegetables	Publications	Show
β-Carotene	Cherry tomato	Vegetables, Fruit vegetables	Publications	Show
β-Carotene	Common cabbage	Vegetables, Cabbages	Publications	Show
β-Carotene	Common pea	Pulses and beans	Publications	Show
β-Carotene	Endive	Vegetables, Leaf vegetables	Publications	Show
β-Carotene	European plum	Fruit, Drupes	Publications	Show
β-Carotene	Garden cress	Vegetables, Leaf vegetables	Publications	Show
β-Carotene	Green bean	Vegetables, Other vegetables	Publications	Show
β-Carotene	Hot chili (Capsicum annuum, C. frutescens)	Vegetables, Fruit vegetables	Publications	Show
β-Carotene	Kale	Vegetables, Cabbages	Publications	Show
β-Carotene	Leek	Vegetables, Onion-family	Publications	Show
β-Carotene	Lettuce	Vegetables, Leaf vegetables	Publications	Show
β-Carotene	Mandarin orange (Clementine, Tangerine)	Fruit, Citrus	Publications	Show
β-Carotene	Mango	Fruit, Tropical fruits	Publications	Show
β-Carotene	Nectarine	Fruit, Drupes	Publications	Show
β-Carotene	Papaya	Fruit, Tropical fruits	Publications	Show
β-Carotene	Peach	Fruit, Drupes	Publications	Show
β-Carotene	Pumpkin	Vegetables, Gourds	Publications	Show
β-Carotene	Rocket salad	Vegetables, Leaf vegetables	Publications	Show
β-Carotene	Spinach	Vegetables, Leaf vegetables	Publications	Show
β-Carotene	Sweet orange	Fruit, Citrus	Publications	Show
β-Carotene	Sweet potato	Vegetables, Tubers	Publications	Show
β-Carotene	Swiss chard	Vegetables, Leaf vegetables	Publications	Show
β-Carotene	Tomato	Vegetables, Fruit vegetables	Publications	Show
β-Carotene	Watermelon	Vegetables, Gourds	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

	Food Phytochemical		Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
	β-Carotene		13-apo-β-carotenone	human	plasma (minor)	host metabolism	Not Available	Not Available	Not Available	C₁₈H₂₆O	258.198365457	Detailed Intervention Studies	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for 13-apo-β-carotenone