acompound

Showing entry for Eugeniin

General Compound Information
BXGC Id	BXGC0024867
Compound Name	Eugeniin
Structure
Formula	C41H30O26
InchiKey	JCGHAEBIBSEQAD-UUUCSUBKSA-N
SMILES	O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H](O[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)OC2)cc(c(c1O)O)O)O)O)OC(=O)c1cc(O)c(c(c1)O)O
Inchi	InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9
IUPAC
Molecular Weight	938.1
Pubchem Id	442679
Chembl Id	CHEMBL450745

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

50250989

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	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	-	3100	-	-
reviewed	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	6840	-	-	-
reviewed	BXGT010917	Squalene monooxygenase	reviewed		Sqle	-	1600	-	-

CHEMBL

CHEMBL450745

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
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Ki	'='	6840	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'='	3100	nM
P52020	BXGT010917	Squalene monooxygenase	reviewed	-	Sqle	IC50	'='	1600	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00179	Cloves	Syzygium aromaticum	Herbs and Spices
BXGF00911	Piper attenuatum	Piper attenuatum	Medicinal Plant
BXGF01013	Trichilia hirta	Trichilia hirta	Human Edible Plant
BXGF01016	Glycyrrhiza squamulosa	Glycyrrhiza squamulosa	Medicinal Plant
BXGF01135	Matricaria parthenium	Matricaria parthenium	Others
BXGF01146	Centaurea cadmea	Centaurea cadmea	Others
BXGF01334	Pulicaria wightiana	Pulicaria wightiana	Medicinal Plant
BXGF01370	Artemisia jacutica	Artemisia jacutica	Others
BXGF01426	Cornus officinalis	Cornus officinalis	Medicinal Plant
BXGF01729	Plantago alpina	Plantago alpina	Others
BXGF01840	Mnium hornum	Mnium hornum	Others
BXGF01858	Bersama abyssinica	Bersama abyssinica	Medicinal Plant
BXGF01991	Rosa rugosa	Rosa rugosa	Medicinal Plant
BXGF02160	Blainvillea rhomboidea	Blainvillea rhomboidea	Others
BXGF02191	Senecio chinensis	Senecio chinensis	Others
BXGF02218	Acacia glaucescens	Acacia glaucescens	Others
BXGF02222	Clusia multiflora	Clusia multiflora	Others
BXGF02315	Agave utahensis	Agave utahensis	Medicinal Plant
BXGF02340	Thermopsis lanceolata	Thermopsis lanceolata	Medicinal Plant
BXGF02441	Aconitum sajanense	Aconitum sajanense	Others
BXGF02692	Plectocephalus chilensis	Plectocephalus chilensis	Others
BXGF02794	Ephedra aphylla	Ephedra aphylla	Others
BXGF02870	Strychnos triplinervia	Strychnos triplinervia	Medicinal Plant
BXGF03199	Combretum indicum	Combretum indicum	Medicinal Plant
BXGF04045	Senegalia pennata	Senegalia pennata	Medicinal Plant
BXGF04341	Sanguisorba officinalis	Sanguisorba officinalis	Medicinal Plant
BXGF04360	Valeriana hardwickii	Valeriana hardwickii	Medicinal Plant
BXGF05086	Quercus suber	Quercus suber	Medicinal Plant
BXGF05148	Munronia delavayi	Munronia delavayi	Others
BXGF05251	Allium neapolitanum	Allium neapolitanum	Medicinal Plant
BXGF05286	Cassia jahnii	Cassia jahnii	Others
BXGF05332	Yucca flexilis	Yucca flexilis	Others
BXGF05342	Cycas armstrongii	Cycas armstrongii	Human Edible Plant
BXGF05395	Cycas revoluta	Cycas revoluta	Medicinal Plant
BXGF05591	Mammillaria magnimamma	Mammillaria magnimamma	Others
BXGF05618	Licaria armeniaca	Licaria armeniaca	Human Edible Plant
BXGF05645	Artemisia bigelovii	Artemisia bigelovii	Others
BXGF05712	Davallia orientalis	Davallia orientalis	Others
BXGF05718	Avrainvillea rawsonii	Avrainvillea rawsonii	Others
BXGF05733	Typha domingensis	Typha domingensis	Medicinal Plant
BXGF05874	Damnacanthus major	Damnacanthus major	Others
BXGF05893	Cyathocline purpurea	Cyathocline purpurea	Medicinal Plant
BXGF06059	Mallotus repandus	Mallotus repandus	Medicinal Plant
BXGF06063	Stauntonia hexaphylla	Stauntonia hexaphylla	Medicinal Plant
BXGF06224	Rubus sanctus	Rubus sanctus	Medicinal Plant

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}