acompound

Showing entry for Icariin

General Compound Information
BXGC Id	BXGC0047302
Compound Name	Icariin
Structure
Formula	C33H40O15
InchiKey	TZJALUIVHRYQQB-XLRXWWTNSA-N
SMILES	COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O
Inchi	InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+
IUPAC	5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Molecular Weight	676.24
Pubchem Id	5318997
Chembl Id	CHEMBL553204

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

50027363

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	BXGT005174	cGMP-specific 3',5'-cyclic phosphodiesterase	reviewed		PDE5A	-	5900	-	-

CHEMBL

CHEMBL553204

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
P51160	BXGT010840	Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'	reviewed	-	PDE6C	Inhibition	'='	45	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	212	%
P06746	BXGT006496	DNA polymerase beta	reviewed	Enzyme	POLB	Potency	'='	63095	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	126	%
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Activity	'='	103	%
O76074	BXGT005174	cGMP-specific 3',5'-cyclic phosphodiesterase	reviewed	-	PDE5A	IC50	'='	5900	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	11220	nM
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Activity	'='	90	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01031	Epimedium sagittatum	Epimedium sagittatum	Medicinal Plant
BXGF01032	Osmorhiza aristata	Osmorhiza aristata	Medicinal Plant
BXGF01121	Litsea salicifolia	Litsea salicifolia	Human Edible Plant
BXGF01162	Stipa vaseyi	Stipa vaseyi	Others
BXGF01313	Cleistopholis staudtii	Cleistopholis staudtii	Others
BXGF01430	Leuzea centauroides	Leuzea centauroides	Others
BXGF01609	Epimedium sempervirens	Epimedium sempervirens	Others
BXGF02370	Epimedium pubescens	Epimedium pubescens	Medicinal Plant
BXGF02881	Epimedium grandiflorum	Epimedium grandiflorum	Medicinal Plant
BXGF02987	Pycnandra acuminata	Pycnandra acuminata	Others
BXGF03101	Psychotria serpens	Psychotria serpens	Medicinal Plant
BXGF03337	Acer carpinifolium	Acer carpinifolium	Medicinal Plant
BXGF03583	Epimedium koreanum	Epimedium koreanum	Medicinal Plant
BXGF04157	Hypericum revolutum	Hypericum revolutum	Medicinal Plant
BXGF04979	Epimedium brevicornum	Epimedium brevicornum	Medicinal Plant
BXGF05256	Scabiosa succisa	Scabiosa succisa	Medicinal Plant
BXGF05334	Helleborus multifidus	Helleborus multifidus	Others
BXGF05370	Epimedium brevicornu	Epimedium brevicornu	Others
BXGF05403	Dipteryx odorata	Dipteryx odorata	Medicinal Plant
BXGF05623	Mesembryanthemum expansum	Mesembryanthemum expansum	Medicinal Plant
BXGF05642	Echinacea pallida	Echinacea pallida	Medicinal Plant
BXGF05734	Artemisia ludoviciana subsp. mexicana	Artemisia ludoviciana subsp. mexicana	Medicinal Plant
BXGF05737	Galium dasypodum	Galium dasypodum	Others
BXGF05924	Helichrysum lepidissimum	Helichrysum lepidissimum	Medicinal Plant
BXGF06060	Hopea utilis	Hopea utilis	Medicinal Plant
BXGF06161	Epimedium wushanense	Epimedium wushanense	Medicinal Plant
BXGF06216	Vernonia anisochaetoides	Vernonia anisochaetoides	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}