acompound

Showing entry for Aucubin

General Compound Information
BXGC Id	BXGC0017393
Compound Name	Aucubin
Structure
Formula	C15H22O9
InchiKey	RJWJHRPNHPHBRN-FKVJWERZSA-N
SMILES	OCC1=C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O
Inchi	InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1
IUPAC	(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	346.13
Pubchem Id	91458
Chembl Id	CHEMBL514882

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

CHEMBL514882

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
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-1	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	'='	99	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-12	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	'='	81	%
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	Inhibition	'='	48	%
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	183	nM
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	Inhibition	'='	49	%
Q9Y468	BXGT022270	Lethal(3)malignant brain tumor-like protein 1	reviewed	Epigenetic regulator	L3MBTL1	Potency	'='	63	nM
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'<='	30	%
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	Inhibition	'='	50	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00196	Common verbena	Verbena officinalis	Herbs and Spices
BXGF00851	Myrsine capitellata	Myrsine capitellata	Medicinal Plant
BXGF00858	Euphorbia antiquorum	Euphorbia antiquorum	Medicinal Plant
BXGF00952	Cyathula tomentosa	Cyathula tomentosa	Medicinal Plant
BXGF00997	Bletilla striata	Bletilla striata	Medicinal Plant
BXGF01096	Scapania aequiloba	Scapania aequiloba	Others
BXGF01099	Exochorda giraldii	Exochorda giraldii	Others
BXGF01122	Sideritis trojana	Sideritis trojana	Others
BXGF01160	Juncus effusus	Juncus effusus	Medicinal Plant
BXGF01189	Artemisia argentea	Artemisia argentea	Others
BXGF01200	Markhamia stipulata	Markhamia stipulata	Medicinal Plant
BXGF01342	Hypericum reflexum	Hypericum reflexum	Others
BXGF01364	Vinca minor	Vinca minor	Human Edible Plant
BXGF01373	Myroxylon peruiferum	Myroxylon peruiferum	Others
BXGF01392	Brodiaea californica	Brodiaea californica	Others
BXGF01429	Osteospermum fruticosum	Osteospermum fruticosum	Others
BXGF01517	Allium stipitatum	Allium stipitatum	Medicinal Plant
BXGF01564	Spergula japonica	Spergula japonica	Others
BXGF01627	Asphodeline damascena	Asphodeline damascena	Others
BXGF01690	Populus yunnanensis	Populus yunnanensis	Others
BXGF01802	Kandelia candel	Kandelia candel	Medicinal Plant
BXGF01815	Scabiosa comosa	Scabiosa comosa	Medicinal Plant
BXGF01842	Plectranthus lanuginosus	Plectranthus lanuginosus	Medicinal Plant
BXGF01868	Vitex negundo	Vitex negundo	Medicinal Plant
BXGF01873	Kopsia longiflora	Kopsia longiflora	Medicinal Plant
BXGF01938	Lepidophorum repandum	Lepidophorum repandum	Others
BXGF01941	Scrophularia nodosa	Scrophularia nodosa	Medicinal Plant
BXGF01962	Alstonia pittieri	Alstonia pittieri	Others
BXGF01965	Angiopteris evecta	Angiopteris evecta	Medicinal Plant
BXGF02048	Sideritis soluta	Sideritis soluta	Others
BXGF02126	Rhododendron campylocarpum	Rhododendron campylocarpum	Others
BXGF02208	Stephania aculeata	Stephania aculeata	Others
BXGF02359	Eucommia ulmoides	Eucommia ulmoides	Medicinal Plant
BXGF02545	Toddalia aculeata	Toddalia aculeata	Medicinal Plant
BXGF03234	Plantago major	Plantago major	Medicinal Plant
BXGF03256	Platycodon grandiflorus	Platycodon grandiflorus	Medicinal Plant
BXGF03316	Titanotrichum oldhamii	Titanotrichum oldhamii	Others
BXGF03396	Himantoglossum hircinum	Himantoglossum hircinum	Others
BXGF04036	Solanum pseudopersicum	Solanum pseudopersicum	Others
BXGF04287	Acacia lasiopetala	Acacia lasiopetala	Others
BXGF04377	Euphrasia rubra	Euphrasia rubra	Others
BXGF04597	Notholaena lemmonii	Notholaena lemmonii	Others
BXGF04861	Rhodanthe maryonii	Rhodanthe maryonii	Others
BXGF05098	Plantago asiatica	Plantago asiatica	Medicinal Plant
BXGF05120	Rheum maximowiczii	Rheum maximowiczii	Medicinal Plant
BXGF05341	Scrophularia ningpoensis	Scrophularia ningpoensis	Medicinal Plant
BXGF05402	Myristica malabarica	Myristica malabarica	Medicinal Plant
BXGF05476	Broussonetia papyrifera	Broussonetia papyrifera	Medicinal Plant
BXGF05572	Spartium junceum	Spartium junceum	Medicinal Plant
BXGF05643	Viguiera stenoloba	Viguiera stenoloba	Others
BXGF05670	Scrophularia buergeriana	Scrophularia buergeriana	Medicinal Plant
BXGF05763	Garcinia subelliptica	Garcinia subelliptica	Others
BXGF05788	Mollugo spergula	Mollugo spergula	Medicinal Plant
BXGF05962	Rehmannia glutinosa	Rehmannia glutinosa	Medicinal Plant
BXGF06049	Eucalyptus kitsoniana	Eucalyptus kitsoniana	Others
BXGF06113	Plantago depressa	Plantago depressa	Medicinal Plant
BXGF06168	Nicotiana affinis	Nicotiana affinis	Others
BXGF06222	Senecio sandersonii	Senecio sandersonii	Others
BXGF06295	Catalpa ovata	Catalpa ovata	Medicinal Plant
BXGF06308	Plagiomnium cuspidatum	Plagiomnium cuspidatum	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}