acompound

Showing entry for (3S,4S)-4-[(3,4-Dimethoxyphenyl)Methyl]-3-[(4-Hydroxy-3-Methoxyphenyl)Methyl]Oxolan-2-One

General Compound Information
BXGC Id	BXGC0040332
Compound Name	(3S,4S)-4-[(3,4-Dimethoxyphenyl)Methyl]-3-[(4-Hydroxy-3-Methoxyphenyl)Methyl]Oxolan-2-One
Structure
Formula	C21H24O6
InchiKey	NQWVSMVXKMHKTF-CVEARBPZSA-N
SMILES	COc1cc(ccc1OC)C[C@@H]1COC(=O)[C@H]1Cc1ccc(c(c1)OC)O
Inchi	InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m1/s1
IUPAC	(3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Molecular Weight	372.16
Pubchem Id	28125531
Chembl Id	CHEMBL369142

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

CHEMBL369142

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
O15118	BXGT004127	NPC intracellular cholesterol transporter 1	reviewed	Transporter	NPC1	Potency	'='	3981	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	2310	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	14125	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	100000	nM
P51151	BXGT010837	Ras-related protein Rab-9A	reviewed	-	RAB9A	Potency	'='	2238	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	891	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	316	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	2592	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00017	Burdock	Arctium lappa	Vegetables
BXGF00918	Urbanodendron verrucosum	Urbanodendron verrucosum	Others
BXGF00960	Adenia fruticosa	Adenia fruticosa	Others
BXGF00986	Centrosema haitense	Centrosema haitense	Others
BXGF01001	Espeletia moritziana	Espeletia moritziana	Others
BXGF01095	Bupleurum salicifolium	Bupleurum salicifolium	Others
BXGF01128	Aster ptarmicoides	Aster ptarmicoides	Medicinal Plant
BXGF01202	Osteospermum hyoseroides	Osteospermum hyoseroides	Others
BXGF01258	Vernonia leopoldi	Vernonia leopoldi	Others
BXGF01341	Trachelospermum jasminoides	Trachelospermum jasminoides	Medicinal Plant
BXGF01375	Pinus massoniana	Pinus massoniana	Medicinal Plant
BXGF01441	Hopea brevipetiolaris	Hopea brevipetiolaris	Others
BXGF01459	Brachylaena ramiflora	Brachylaena ramiflora	Others
BXGF01468	Ajuga australis	Ajuga australis	Medicinal Plant
BXGF01494	Sedum cepaea	Sedum cepaea	Medicinal Plant
BXGF01526	Kielmeyera albopunctata	Kielmeyera albopunctata	Others
BXGF01612	Elaeagnus pungens	Elaeagnus pungens	Medicinal Plant
BXGF01867	Rubus phoenicolasius	Rubus phoenicolasius	Medicinal Plant
BXGF01910	Trachelospermum asiaticum	Trachelospermum asiaticum	Medicinal Plant
BXGF02018	Solanum americanum	Solanum americanum	Medicinal Plant
BXGF02244	Galium album	Galium album	Medicinal Plant
BXGF02362	Prunus serrulata var. spontanea	Prunus serrulata var. spontanea	Medicinal Plant
BXGF02473	Echinochloa esculenta	Echinochloa esculenta	Human Edible Plant
BXGF02731	Saussurea involucrata	Saussurea involucrata	Medicinal Plant
BXGF02956	Forsythia viridissima	Forsythia viridissima	Medicinal Plant
BXGF03040	Lophozia floerkei	Lophozia floerkei	Others
BXGF03253	Forsythia suspensa	Forsythia suspensa	Medicinal Plant
BXGF03561	Saussurea pulchella	Saussurea pulchella	Medicinal Plant
BXGF03976	Nuxia oppositifolia	Nuxia oppositifolia	Others
BXGF04107	Plagiomnium undulatum	Plagiomnium undulatum	Others
BXGF04935	Artemisia caucasica	Artemisia caucasica	Others
BXGF05122	Echinopepon bigelovii	Echinopepon bigelovii	Others
BXGF05179	Asplenium septentrionale	Asplenium septentrionale	Medicinal Plant
BXGF05206	Corydalis gigantea	Corydalis gigantea	Medicinal Plant
BXGF05373	Torricellia tiliifolia	Torricellia tiliifolia	Others
BXGF05401	Colliguaja salicifolia	Colliguaja salicifolia	Others
BXGF05697	Dysosma delavayi	Dysosma delavayi	Others
BXGF05735	Achillea tuzsonii	Achillea tuzsonii	Others
BXGF05882	Mosla japonica	Mosla japonica	Others
BXGF06132	Millettia rubiginosa	Millettia rubiginosa	Others
BXGF06232	Gomphostemma crinitum	Gomphostemma crinitum	Medicinal Plant
BXGF06267	Maharanga bicolor	Maharanga bicolor	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}