acompound

Showing entry for Sesamin

General Compound Information
BXGC Id	BXGC0022310
Compound Name	Sesamin
Structure
Formula	C20H18O6
InchiKey	PEYUIKBAABKQKQ-AFHBHXEDSA-N
SMILES	C1Oc2c(O1)cc(cc2)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2
Inchi	InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1
IUPAC	5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
Molecular Weight	354.11
Pubchem Id	72307
Chembl Id	CHEMBL252915

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

n.a

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

Binding DB

n.a

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

CHEMBL

CHEMBL252915

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
P02766	BXGT005953	Transthyretin	reviewed	Transporter	TTR	Inhibition	'<'	20	%
P53350	BXGT010984	Serine/threonine-protein kinase PLK1	reviewed	Kinase	PLK1	Potency	-	26679	nM
Q194T2	BXGT013743	Non-structural protein 1	unreviewed	-	NS1	Potency	'='	2818	nM
Q6P7A9	BXGT016460	Lysosomal alpha-glucosidase	reviewed	-	Gaa	Inhibition	'<'	30	%
P23739	BXGT008901	Sucrase-isomaltase, intestinal	reviewed	-	Si	Inhibition	'<'	30	%
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	79432	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	Kcat	'='	5	/min
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Kcat	'='	3	/min
Q13148	BXGT013318	TAR DNA-binding protein 43	reviewed	-	TARDBP	Potency	-	11220	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	Km	'='	15000	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	14125	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Km	'='	5400	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Kcat/Km	'='	0	/min/microM
O54968	BXGT004738	Nuclear factor erythroid 2-related factor 2	reviewed	-	Nfe2l2	Activity	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Ratio	'='	0	/uM/min
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Drug metabolism	-	-	-
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	5	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	Kcat/Km	'='	0	/min/microM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	89125	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00346	Horseradish tree	Moringa oleifera	Vegetables
BXGF00891	Artabotrys uncinatus	Artabotrys uncinatus	Others
BXGF00905	Scrophularia leucoclada	Scrophularia leucoclada	Others
BXGF00943	Brickellia longifolia	Brickellia longifolia	Others
BXGF00975	Lindera obtusiloba	Lindera obtusiloba	Medicinal Plant
BXGF00976	Verbesina virginica	Verbesina virginica	Others
BXGF00989	Asteriscus aquaticus	Asteriscus aquaticus	Others
BXGF01018	Cinnamomum subavenium	Cinnamomum subavenium	Medicinal Plant
BXGF01072	Dichotomanthes tristaniicarpa	Dichotomanthes tristaniicarpa	Others
BXGF01075	Arnebia decumbens	Arnebia decumbens	Others
BXGF01102	Pseudowintera colorata	Pseudowintera colorata	Others
BXGF01161	Nigella aristata	Nigella aristata	Others
BXGF01165	Cochlearia officinalis	Cochlearia officinalis	Medicinal Plant
BXGF01180	Phebalium dentatum	Phebalium dentatum	Others
BXGF01212	Crotalaria mitchellii	Crotalaria mitchellii	Others
BXGF01217	Ecballium elaterium	Ecballium elaterium	Medicinal Plant
BXGF01242	Capparis ovata	Capparis ovata	Medicinal Plant
BXGF01244	Croton montevidensis	Croton montevidensis	Others
BXGF01260	Eleutherococcus senticosus	Eleutherococcus senticosus	Medicinal Plant
BXGF01327	Datisca glomerata	Datisca glomerata	Others
BXGF01368	Frullania brasiliensis	Frullania brasiliensis	Medicinal Plant
BXGF01376	Acicarpha tribuloides	Acicarpha tribuloides	Others
BXGF01378	Quercus imbricaria	Quercus imbricaria	Medicinal Plant
BXGF01386	Asarum heterotropoides	Asarum heterotropoides	Others
BXGF01396	Bupleurum rigidum	Bupleurum rigidum	Medicinal Plant
BXGF01409	Dioscorea olfersiana	Dioscorea olfersiana	Human Edible Plant
BXGF01444	Cassine papillosa	Cassine papillosa	Human Edible Plant
BXGF01454	Potamogeton malaianus	Potamogeton malaianus	Others
BXGF01515	Polypodium vulgare	Polypodium vulgare	Medicinal Plant
BXGF01531	Abies webbiana	Abies webbiana	Medicinal Plant
BXGF01546	Vallaris heynei	Vallaris heynei	Medicinal Plant
BXGF01589	Glycosmis puberula	Glycosmis puberula	Others
BXGF01644	Otanthus maritimus	Otanthus maritimus	Others
BXGF01773	Garcinia oligantha	Garcinia oligantha	Others
BXGF01786	Berkheya rhapontica	Berkheya rhapontica	Medicinal Plant
BXGF01916	Clerodendrum cyrtophyllum	Clerodendrum cyrtophyllum	Medicinal Plant
BXGF01942	Acanthothamnus aphyllus	Acanthothamnus aphyllus	Others
BXGF01979	Cephalotaxus hainanensis	Cephalotaxus hainanensis	Others
BXGF02064	Corymbia citriodora	Corymbia citriodora	Medicinal Plant
BXGF02134	Onobrychis bobrovii	Onobrychis bobrovii	Others
BXGF02144	Iris spuria	Iris spuria	Medicinal Plant
BXGF02171	Centaurea musimomum	Centaurea musimomum	Others
BXGF02194	Eucalyptus hybrid	Eucalyptus hybrid	Others
BXGF02198	Cuscuta chinensis	Cuscuta chinensis	Medicinal Plant
BXGF02364	Aconitum episcopale	Aconitum episcopale	Others
BXGF02796	Centaurea arbutifolia	Centaurea arbutifolia	Others
BXGF02806	Dryobalanops camphora	Dryobalanops camphora	Medicinal Plant
BXGF02826	Lophocolea bidentata	Lophocolea bidentata	Others
BXGF02832	Acanthosyris paulo-alvinii	Acanthosyris paulo-alvinii	Human Edible Plant
BXGF02901	Senecio zoellneri	Senecio zoellneri	Others
BXGF02966	Achillea magnifica	Achillea magnifica	Others
BXGF03009	Crinum stuhlmannii	Crinum stuhlmannii	Others
BXGF03051	Phyllanthus oligospermus	Phyllanthus oligospermus	Others
BXGF03118	Piper acutifolium	Piper acutifolium	Medicinal Plant
BXGF03254	Zanthoxylum integrifoliolum	Zanthoxylum integrifoliolum	Medicinal Plant
BXGF03308	Bidens tripartita	Bidens tripartita	Medicinal Plant
BXGF03351	Corymbia scabrida	Corymbia scabrida	Others
BXGF03363	Hypericum japonicum	Hypericum japonicum	Medicinal Plant
BXGF03393	Stypandra imbricata	Stypandra imbricata	Others
BXGF03405	Genista sessilifolia	Genista sessilifolia	Others
BXGF03467	Corydalis sewerzowi	Corydalis sewerzowi	Medicinal Plant
BXGF03493	Trapa bicornis	Trapa bicornis	Medicinal Plant
BXGF03575	Palisota barteri	Palisota barteri	Others
BXGF03594	Cacalia robusta	Cacalia robusta	Others
BXGF03609	Xyris indica	Xyris indica	Medicinal Plant
BXGF03629	Aconitum palmatum	Aconitum palmatum	Medicinal Plant
BXGF03650	Onoseris alata	Onoseris alata	Others
BXGF03659	Carpesium faberi	Carpesium faberi	Others
BXGF03660	Microcos paniculata	Microcos paniculata	Medicinal Plant
BXGF03668	Vellozia streptophylla	Vellozia streptophylla	Others
BXGF03681	Aconitum tianschanicum	Aconitum tianschanicum	Others
BXGF03691	Solanum diflorum	Solanum diflorum	Others
BXGF03699	Staehelina fruticosa	Staehelina fruticosa	Others
BXGF03708	Gomphostemma parviflorum	Gomphostemma parviflorum	Others
BXGF03717	Chlamydomonas allensworthii	Chlamydomonas allensworthii	Others
BXGF03727	Hippobroma longiflora	Hippobroma longiflora	Others
BXGF03736	Psilotum nudum	Psilotum nudum	Medicinal Plant
BXGF03737	Matsumurella chinensis	Matsumurella chinensis	Others
BXGF03784	Codonopsis cordifolioidea	Codonopsis cordifolioidea	Human Edible Plant
BXGF03819	Ariocarpus fissuratus	Ariocarpus fissuratus	Human Edible Plant
BXGF03892	Sesamum indicum	Sesamum indicum	0
BXGF03932	Trifolium strepens	Trifolium strepens	Others
BXGF04153	Solanum andigena	Solanum andigena	Others
BXGF04193	Piper longum	Piper longum	Medicinal Plant
BXGF04299	Cladrastis kentukea	Cladrastis kentukea	Others
BXGF04363	Petteria ramentacea	Petteria ramentacea	Others
BXGF04427	Silene banksia	Silene banksia	Others
BXGF04642	Podocarpus minor	Podocarpus minor	Others
BXGF04660	Piper sarmentosum	Piper sarmentosum	Medicinal Plant
BXGF04711	Cuscuta australis	Cuscuta australis	Medicinal Plant
BXGF05078	Alstonia undulifolia	Alstonia undulifolia	Others
BXGF05143	Scrophularia koelzii	Scrophularia koelzii	Medicinal Plant
BXGF05155	Artemisia rutifolia	Artemisia rutifolia	Others
BXGF05156	Ardisia japonica	Ardisia japonica	Medicinal Plant
BXGF05174	Medinilla magnifica	Medinilla magnifica	Medicinal Plant
BXGF05181	Ardisia arborescens	Ardisia arborescens	Medicinal Plant
BXGF05189	Dracontium loretense	Dracontium loretense	Others
BXGF05190	Ferula gummosa	Ferula gummosa	Medicinal Plant
BXGF05202	Flemingia philippinensis	Flemingia philippinensis	Medicinal Plant
BXGF05225	Betula platyphylla	Betula platyphylla	Medicinal Plant
BXGF05272	Laggera alata	Laggera alata	Medicinal Plant
BXGF05283	Polygonum flaccidum	Polygonum flaccidum	Medicinal Plant
BXGF05321	Dracaena ombet	Dracaena ombet	Others
BXGF05326	Aglaia perviridis	Aglaia perviridis	Human Edible Plant
BXGF05349	Helipterum gnaphaloides	Helipterum gnaphaloides	Others
BXGF05369	Daemonorops draco	Daemonorops draco	Medicinal Plant
BXGF05378	Hubertia tomentosa	Hubertia tomentosa	Others
BXGF05453	Ligustrum obtusifolium	Ligustrum obtusifolium	Medicinal Plant
BXGF05469	Pseudoxandra sclerocarpa	Pseudoxandra sclerocarpa	Others
BXGF05486	Papaver persicum	Papaver persicum	Medicinal Plant
BXGF05508	Oocystis polymorpha	Oocystis polymorpha	Others
BXGF05532	Aniba rosaeodora	Aniba rosaeodora	Medicinal Plant
BXGF05541	Helichrysum auriceps	Helichrysum auriceps	Others
BXGF05562	Garrya laurifolia	Garrya laurifolia	Others
BXGF05587	Phoebe grandis	Phoebe grandis	Others
BXGF05602	Sequoia sempervirens	Sequoia sempervirens	Medicinal Plant
BXGF05627	Asarum sieboldii	Asarum sieboldii	Medicinal Plant
BXGF05648	Euphorbia wangii	Euphorbia wangii	Others
BXGF05671	Carpesium longifolium	Carpesium longifolium	Medicinal Plant
BXGF05685	Rubus pileatus	Rubus pileatus	Others
BXGF05694	Piper retrofractum	Piper retrofractum	Medicinal Plant
BXGF05702	Cinnamomum camphora	Cinnamomum camphora	Medicinal Plant
BXGF05726	Mesua ferrea	Mesua ferrea	Medicinal Plant
BXGF05741	Crocus corsicus	Crocus corsicus	Others
BXGF05773	Myrica arborea	Myrica arborea	Others
BXGF05792	Schefflera venulosa	Schefflera venulosa	Medicinal Plant
BXGF05813	Goupia glabra	Goupia glabra	Others
BXGF05833	Dahlstedtia pentaphylla	Dahlstedtia pentaphylla	Others
BXGF05844	Rubus trifidus	Rubus trifidus	Medicinal Plant
BXGF05871	Fagus fusca	Fagus fusca	Others
BXGF05889	Spiracantha cornifolia	Spiracantha cornifolia	Others
BXGF05938	Excoecaria acerifolia	Excoecaria acerifolia	Medicinal Plant
BXGF05952	Tylophora tanakae	Tylophora tanakae	Others
BXGF05985	Senecio cathcartensis	Senecio cathcartensis	Others
BXGF06013	Iryanthera polyneura	Iryanthera polyneura	Others
BXGF06031	Myristica cagayanensis	Myristica cagayanensis	Others
BXGF06036	Eleutherococcus gracilistylus	Eleutherococcus gracilistylus	Others
BXGF06078	Monopteryx uaucu	Monopteryx uaucu	Human Edible Plant
BXGF06199	Polygala aureocauda	Polygala aureocauda	Others
BXGF06236	Charpentiera obovata	Charpentiera obovata	Others
BXGF06264	Homalium laurifolium	Homalium laurifolium	Others
BXGF06268	Zanthoxylum nitidum	Zanthoxylum nitidum	Medicinal Plant
BXGF06270	Lotus ucrainicus	Lotus ucrainicus	Others
BXGF06277	Vincetoxicum hirundinaria	Vincetoxicum hirundinaria	Medicinal Plant
BXGF06282	Daphne genkwa	Daphne genkwa	Medicinal Plant
BXGF06300	Ethulia conyzoides	Ethulia conyzoides	Human Edible Plant
BXGF06309	Betula alnoides	Betula alnoides	Medicinal Plant
BXGF06316	Coelogyne nitida	Coelogyne nitida	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}