acompound

Showing entry for 3,7,11-Trimethyl-1,2,6,10-dodecatrienol

General Compound Information
BXGC Id	BXGC0002757
Compound Name	3,7,11-Trimethyl-1,2,6,10-dodecatrienol
Structure
Formula	C15H26O
InchiKey	CRDAMVZIKSXKFV-YFVJMOTDSA-N
SMILES	CC(C)=CCC\C(C)=C\CC\C(C)=C\CO
Inchi	InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
IUPAC	(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
Molecular Weight	222.37
Pubchem Id	445070
Chembl Id	CHEMBL25308

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

FOF

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
O75208	BXGT023882	Ubiquinone biosynthesis protein COQ9, mitochondrial	reviewed	COQ9	-	-	-	-	-
P06126	BXGT006412	T-cell surface glycoprotein CD1a	reviewed	CD1A	-	-	-	-	-

Binding DB

11021

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT008505	Amine oxidase [flavin-containing] B	reviewed		Maob	5000	-	-	-
reviewed	BXGT017924	Amine oxidase [flavin-containing] B	reviewed		Maob	2400	-	-	-
reviewed	BXGT009172	Amine oxidase [flavin-containing] B	reviewed		MAOB	800	-	-	-
reviewed	BXGT011180	Amine oxidase [flavin-containing] B	reviewed		MAOB	>1000000	-	-	-
reviewed	BXGT009172	Amine oxidase [flavin-containing] B	reviewed		MAOB	2300	-	-	-
reviewed	BXGT008644	Amine oxidase [flavin-containing] A	reviewed		MAOA	>1000000	-	-	-
reviewed	BXGT008753	UDP-glucuronosyltransferase 1-1	reviewed		UGT1A1	-	40000	-	-
reviewed	BXGT008753	UDP-glucuronosyltransferase 1-1	reviewed		UGT1A1	-	47000	-	-
reviewed	BXGT006079	Neuraminidase	reviewed		NA	-	81400	-	-

CHEMBL

CHEMBL25308

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	89	%
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	12589	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	39810	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	39810	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	14125	nM
P02791	BXGT005965	Ferritin light chain	reviewed	-	FTL	Potency	'='	25118	nM
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	Potency	'='	15848	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	44668	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	63095	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	16360	nM
P22309	BXGT008753	UDP-glucuronosyltransferase 1-1	reviewed	-	UGT1A1	IC50	'='	47000	nM
P03468	BXGT006079	Neuraminidase	reviewed	-	NA	IC50	'='	81400	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	29092	nM
P22309	BXGT008753	UDP-glucuronosyltransferase 1-1	reviewed	-	UGT1A1	IC50	'='	40000	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	6859	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	89	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00046	Roman camomile	Chamaemelum nobile	Herbs and Spices
BXGF00050	Chinese cinnamon	Cinnamomum aromaticum	Herbs and Spices
BXGF00051	Ceylon cinnamon	Cinnamomum verum	Herbs and Spices
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00067	Cumin	Cuminum cyminum	Herbs and Spices
BXGF00068	Turmeric	Curcuma longa	Herbs and Spices
BXGF00070	Lemon grass	Cymbopogon citratus	Herbs and Spices
BXGF00074	Cardamom	Elettaria cardamomum	Herbs and Spices
BXGF00076	Loquat	Eriobotrya japonica	Fruits
BXGF00107	German camomile	Matricaria recutita	Herbs and Spices
BXGF00111	Cornmint	Mentha arvensis	Herbs and Spices
BXGF00112	Spearmint	Mentha spicata	Herbs and Spices
BXGF00119	Sweet basil	Ocimum basilicum	Herbs and Spices
BXGF00123	Pot marjoram	Origanum onites	Herbs and Spices
BXGF00162	Red raspberry	Rubus idaeus	Fruits
BXGF00165	Common sage	Salvia officinalis	Herbs and Spices
BXGF00191	Highbush blueberry	Vaccinium corymbosum	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00246	Red beetroot	Beta vulgaris var. rubra	Vegetables
BXGF00337	Ginkgo nuts	Ginkgo biloba	Herbs and Spices
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF01104	Garcinia cambogia	Garcinia cambogia	Medicinal Plant
BXGF01252	Petasites laevigatus	Petasites laevigatus	Medicinal Plant
BXGF01369	Descurainia sophia	Descurainia sophia	Medicinal Plant
BXGF01404	Sphaeranthus confertifolius	Sphaeranthus confertifolius	Others
BXGF01408	Flemingia prostrata roxb	Flemingia prostrata roxb	Others
BXGF01556	Ornithoglossum viride	Ornithoglossum viride	Others
BXGF01606	Schizanthus tricolor	Schizanthus tricolor	Others
BXGF01631	Anodendron affine	Anodendron affine	Medicinal Plant
BXGF01669	Hertia cheirifolia	Hertia cheirifolia	Others
BXGF01716	Mentha canadensis	Mentha canadensis	Medicinal Plant
BXGF01720	Cedrela salvadorensis	Cedrela salvadorensis	Others
BXGF01966	Chromolaena odorata	Chromolaena odorata	Medicinal Plant
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF02359	Eucommia ulmoides	Eucommia ulmoides	Medicinal Plant
BXGF02425	Ephedra herba	Ephedra herba	Others
BXGF02592	Ilex affinis	Ilex affinis	Human Edible Plant
BXGF02667	Anaxagorea clavata	Anaxagorea clavata	Others
BXGF03078	Chrysanthemum x morifolium	Chrysanthemum x morifolium	Medicinal Plant
BXGF03144	Stenostomum lucidum	Stenostomum lucidum	Others
BXGF03147	Beyeria brevifolia	Beyeria brevifolia	Others
BXGF03348	Panax notoginseng	Panax notoginseng	Medicinal Plant
BXGF03421	Kaempferia pulchra	Kaempferia pulchra	Medicinal Plant
BXGF03423	Chimonanthus fragrans	Chimonanthus fragrans	Others
BXGF03432	Chrysanthemum indicum	Chrysanthemum indicum	Medicinal Plant
BXGF03534	Drosera peltata	Drosera peltata	Medicinal Plant
BXGF03712	Arnica nevadensis	Arnica nevadensis	Others
BXGF03745	Odixia angusta	Odixia angusta	Others
BXGF03760	Prunus laurocerasus	Prunus laurocerasus	Medicinal Plant
BXGF03812	Ficus formosana	Ficus formosana	Human Edible Plant
BXGF03843	Dipterocarpus alatus	Dipterocarpus alatus	Medicinal Plant
BXGF03864	Echinops amplexicaulis	Echinops amplexicaulis	Medicinal Plant
BXGF03873	Quercus aegilops	Quercus aegilops	Medicinal Plant
BXGF03883	Chloranthus tianmushanensis	Chloranthus tianmushanensis	Others
BXGF03897	Prosopis glandulosa	Prosopis glandulosa	Human Edible Plant
BXGF03916	Aria pallescens	Aria pallescens	Others
BXGF03926	Simira eliezeriana	Simira eliezeriana	Others
BXGF03939	Senecio squalidus	Senecio squalidus	Medicinal Plant
BXGF03951	Araujia sericifera	Araujia sericifera	Medicinal Plant
BXGF03966	Artemisia monogyna	Artemisia monogyna	Others
BXGF03986	Epaltes gariepina	Epaltes gariepina	Others
BXGF03991	Seriphidium cinum	Seriphidium cinum	Medicinal Plant
BXGF04002	Dendrosenecio kilimanjari	Dendrosenecio kilimanjari	Others
BXGF04009	Isodon kameba	Isodon kameba	Medicinal Plant
BXGF04016	Pterocarpus grandiflorus	Pterocarpus grandiflorus	Others
BXGF04030	Chromolaena pulchella	Chromolaena pulchella	Others
BXGF04041	Bursaria spinosa	Bursaria spinosa	Human Edible Plant
BXGF04054	Taxodium mucronatum	Taxodium mucronatum	Medicinal Plant
BXGF04066	Gardenia fosbergii	Gardenia fosbergii	Others
BXGF04073	Vitex madiensis	Vitex madiensis	Medicinal Plant
BXGF04144	Agnorhiza bolanderi	Agnorhiza bolanderi	Others
BXGF04285	Conocephalum conicum	Conocephalum conicum	Others
BXGF04664	Torreya nucifera	Torreya nucifera	Medicinal Plant
BXGF04708	Sesbania punicea	Sesbania punicea	Others
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF05119	Rheedia acuminata	Rheedia acuminata	Human Edible Plant
BXGF05136	Acacia aulacocarpa	Acacia aulacocarpa	Others
BXGF05164	Aspidosperma subincanum	Aspidosperma subincanum	Medicinal Plant
BXGF05319	Lindera aggregata	Lindera aggregata	Others
BXGF05323	Ardisia neriifolia	Ardisia neriifolia	Others
BXGF05343	Psiadia dentata	Psiadia dentata	Others
BXGF05407	Peritassa compta	Peritassa compta	Others
BXGF05415	Eupatorium argentinum	Eupatorium argentinum	Others
BXGF05436	Rubia tetragona	Rubia tetragona	Others
BXGF05609	Cryptocarya aschersoniana	Cryptocarya aschersoniana	Others
BXGF05704	Securidaca inappendiculata	Securidaca inappendiculata	Medicinal Plant
BXGF05707	Juniperus brevifolia	Juniperus brevifolia	Others
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF05843	Pteris prolifera	Pteris prolifera	Others
BXGF05858	Ormosia hosiei	Ormosia hosiei	Medicinal Plant
BXGF05865	Guatteria boliviana	Guatteria boliviana	Others
BXGF05977	Schisandra chinensis	Schisandra chinensis	Medicinal Plant
BXGF06020	Anemone flaccida	Anemone flaccida	Medicinal Plant
BXGF06250	Licaria chrysophylla	Licaria chrysophylla	Others

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}