acompound

Showing entry for Narcissin

General Compound Information
BXGC Id	BXGC0039472
Compound Name	Narcissin
Structure
Formula	C28H32O16
InchiKey	UIDGLYUNOUKLBM-GEBJFKNCSA-N
SMILES	COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O
Inchi	InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1
IUPAC	5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular Weight	624.17
Pubchem Id	5481663
Chembl Id	CHEMBL258394

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

CHEMBL258394

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
Q8BRK8	BXGT017920	5'-AMP-activated protein kinase catalytic subunit alpha-2	reviewed	-	Prkaa2	Activity	-	-	-
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	'='	84	%
P37238	BXGT009974	Peroxisome proliferator-activated receptor gamma	reviewed	-	Pparg	Activity	-	-	-
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Inhibition	'='	22	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	'='	83	%
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	IC50	'>'	80000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	13	%
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'='	12100	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00087	Sea-buckthornberry	Hippophae rhamnoides	Fruits
BXGF00285	Breadfruit	Artocarpus altilis	Fruits
BXGF00337	Ginkgo nuts	Ginkgo biloba	Herbs and Spices
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF00522	Narrowleaf cattail	Typha angustifolia	Vegetables
BXGF00964	Centaurea solstitialis	Centaurea solstitialis	Medicinal Plant
BXGF01017	Xanthorrhoea resinosa	Xanthorrhoea resinosa	Medicinal Plant
BXGF01049	Ocimum pilosum	Ocimum pilosum	Medicinal Plant
BXGF01147	Chelidonium majus	Chelidonium majus	Medicinal Plant
BXGF01291	Rhododendron ungerni	Rhododendron ungerni	Others
BXGF01330	Lagochilus leiacanthus	Lagochilus leiacanthus	Others
BXGF01414	Strychnos tricalysioides	Strychnos tricalysioides	Others
BXGF01463	Piptostigma fugax	Piptostigma fugax	Others
BXGF01560	Chara ceratophylla	Chara ceratophylla	Others
BXGF01675	Cosmos diversifolius	Cosmos diversifolius	Others
BXGF01737	Trichodesma incanum	Trichodesma incanum	Others
BXGF01802	Kandelia candel	Kandelia candel	Medicinal Plant
BXGF01806	Rhododendron mucronatum	Rhododendron mucronatum	Medicinal Plant
BXGF01809	Anaxagorea dolichocarpa	Anaxagorea dolichocarpa	Others
BXGF01829	Onobrychis viciifolia	Onobrychis viciifolia	Medicinal Plant
BXGF02131	Glycyrrhiza	Glycyrrhiza	Medicinal Plant
BXGF02163	Inga velutina	Inga velutina	Human Edible Plant
BXGF02180	Cedrela fissilis	Cedrela fissilis	Medicinal Plant
BXGF02235	Curcuma caesia	Curcuma caesia	Medicinal Plant
BXGF02342	Dorycnium suffruticosum	Dorycnium suffruticosum	Others
BXGF02357	Euodia bodinieri	Euodia bodinieri	Others
BXGF02381	Glycyrrhiza inflata	Glycyrrhiza inflata	Medicinal Plant
BXGF02408	Teucrium heterophyllum	Teucrium heterophyllum	Others
BXGF02474	Sparganium stoloniferum	Sparganium stoloniferum	Medicinal Plant
BXGF02487	Baccharis sagittalis	Baccharis sagittalis	Others
BXGF02547	Senecio ambraceus	Senecio ambraceus	Others
BXGF02567	Lycium chinense	Lycium chinense	Medicinal Plant
BXGF02978	Tetradium ruticarpum	Tetradium ruticarpum	Medicinal Plant
BXGF03084	Cathormion altissimum	Cathormion altissimum	Others
BXGF03103	Cheilanthes fragrans	Cheilanthes fragrans	Medicinal Plant
BXGF03104	Urochloa decumbens	Urochloa decumbens	Others
BXGF03152	Sophora japonica	Sophora japonica	Medicinal Plant
BXGF03184	Sasa paniculata	Sasa paniculata	Others
BXGF03223	Sedum forsteri	Sedum forsteri	Medicinal Plant
BXGF03239	Fadogia agrestis	Fadogia agrestis	Medicinal Plant
BXGF03258	Populus angustifolia	Populus angustifolia	Medicinal Plant
BXGF03289	Ostrya carpinifolia	Ostrya carpinifolia	Medicinal Plant
BXGF03305	Aconitum variegatum	Aconitum variegatum	Medicinal Plant
BXGF03413	Lasiosiphon kraussianus	Lasiosiphon kraussianus	Others
BXGF03443	Morinda morindoides	Morinda morindoides	Human Edible Plant
BXGF03477	Stephania dielsiana	Stephania dielsiana	Medicinal Plant
BXGF03645	Lycium barbarum	Lycium barbarum	Medicinal Plant
BXGF03685	Typha latifolia	Typha latifolia	Medicinal Plant
BXGF03693	Aster koraiensis	Aster koraiensis	Medicinal Plant
BXGF03875	Erythrophleum couminga	Erythrophleum couminga	Medicinal Plant
BXGF04325	Baphia bancoensis	Baphia bancoensis	Others
BXGF04600	Typha orientalis	Typha orientalis	Medicinal Plant
BXGF04759	Calendula officinalis	Calendula officinalis	Medicinal Plant
BXGF04872	Glycyrrhiza glabra	Glycyrrhiza glabra	Medicinal Plant
BXGF04954	Erythrina pallida	Erythrina pallida	Others
BXGF05205	Pedicularis procera	Pedicularis procera	Others
BXGF05257	Morinda citrifolia	Morinda citrifolia	Medicinal Plant
BXGF05356	Euodia officinalis	Euodia officinalis	Others
BXGF05451	Eucalyptus australiana	Eucalyptus australiana	Others
BXGF05632	Conyza filaginoides	Conyza filaginoides	Others
BXGF05669	Marrubium velutinum	Marrubium velutinum	Medicinal Plant
BXGF05790	Glycyrrhiza uralensis	Glycyrrhiza uralensis	Medicinal Plant
BXGF05870	Phelline lucida	Phelline lucida	Others
BXGF05896	Lactuca serriola	Lactuca serriola	Medicinal Plant
BXGF06002	Euodia ruticarpa	Euodia ruticarpa	Others
BXGF06050	Liparis loeselii	Liparis loeselii	Medicinal Plant
BXGF06076	Aglaia tsangii	Aglaia tsangii	Others
BXGF06083	Cryptocarya oblata	Cryptocarya oblata	Others
BXGF06201	Solenopsis punctaticeps	Solenopsis punctaticeps	Others
BXGF06234	Magnolia pterocarpa	Magnolia pterocarpa	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}