PhytoHub: Showing entry for N-caprylhistidinol

N-caprylhistidinol

Identification

PhytoHub ID

PHUB002328

Name

N-caprylhistidinol

Systematic Name

Not Available

Synonyms

HlC8

CAS Number

Not Available

Average Mass

267.373

Monoisotopic Mass

267.194677057

Chemical Formula

C₁₄H₂₅N₃O₂

IUPAC Name

N-[(2S)-1-hydroxy-3-(1H-imidazol-4-yl)propan-2-yl]octanamide

InChI Key

YVFAECCVQVLUSI-ZDUSSCGKSA-N

InChI Identifier

InChI=1S/C14H25N3O2/c1-2-3-4-5-6-7-14(19)17-13(10-18)8-12-9-15-11-16-12/h9,11,13,18H,2-8,10H2,1H3,(H,15,16)(H,17,19)/t13-/m0/s1

SMILES

CCCCCCCC(=O)N[C@H](CO)CC1=CNC=N1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): Not Available
LogS (ALOGPS): Not Available
LogP (ALOGPS): Not Available
Hydrogen Acceptors: 3
Hydrogen Donors: 3
Rotatable Bond Count: 10
Polar Surface Area: 78.00999999999999
Refractivity: 74.7016
Polarizability: 30.694845414958166
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): 6.542514263562201
pKa (strongest acidic): 13.091713689817887
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

No external links

Taxonomy as Food Phytochemical

Family: N-containing compounds
Class: Miscellaneous N-containing compounds
Sub-class: Not Available

Spectra from Phytohub

	Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Food Sources

	Name	Group
	Tomato	Vegetables, Fruit vegetables	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
	N-caprylhistidinol		N-caprylhistidinol glucuronide	human	urine	host metabolism	Not Available	Not Available	Not Available			Detailed Intervention Studies	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for N-caprylhistidinol