PhyteByte: identification of foods containing compounds with specific pharmacological properties

BMC Bioinformatics

Table 1 Top food compound results from PhyteByte for input of PPARG

Compound	Synonyms	CAS ID^a	FooDB ID	Score^b	Novel finding	Foods^c
Pirinixic acid	2-Methylthioribosyl-trans-zeatin; WY-14,643; CXPTA	50892–23-4	FDB001402	0.96	False	pea, wheat
Amorfrutin A	3-Hydroxy-4-isopentenyl-5-methoxybibenzyl-2-carboxylic acid	80489–90-3	FDB001743	0.88	False	pigeon pea
Irigenin	5,7,3′-Trihydroxy-6,4′,5′-trimethoxyisoflavone	548–76-5	FDB008016	0.79	True	lima bean, iris kemaonensis, leopard lily
Xanthoxylol	(−)-Piperitol	54983–95-8	FDB000580	0.72	False	herbs and spices, Asarum sieboldii
Sesamin	(+)-Asarinin; Fagarol	607–80-7	FDB012573	0.72	False	sesame, flaxseed, fats and oils
2,3-Dihydrobenzofuran	2,3-Dihydro-1-benzofuran; Coumaran; Dihydrocoumarone	496–16-2	FDB007352	0.72	True	fenugreek
(+)-Fargesin	(+)-Spinescin; 2-(3′,4′-Dimethoxyphenyl)-6-(3″,4″-methylenedioxyphenyl)-3,7-dioxabicyclo(3,3,0)octane; Methylpluviatilol; Planinin	68296–27-5	FDB017481	0.69	True	tea, herbs and spices
delta-Sanshool	N-Isobutyl-2,4,8,10,12-tetradecapentaenamide; g-Sanshool	78886–65-4	FDB003203	0.65	True	herbs and spices (general)
Sanshodiol	(5-Chloro-2-hydroxyphenyl) acetic acid	54854–91-0	FDB002461	0.65	True	herbs and spices
Samin		NA	FDB018392	0.61	True	fats and oils

^a Chemical Abstracts Service Registry Number for the compound
^b Score represents the predicted probability of the compound acting as a PPARG agonist
^c For results presented, data on compound amounts in food as extracted from FooDB were available only for sesamin in sesame, range: 62.7 mg/100 g to 644.5 mg/100 g

ISSN: 1471-2105