acompound

General Compound Information
BXGC Id	BXGC0036526
Compound Name	(-)-Thujaplicatintrimethyl Ether
Structure
Formula	C21H24O7
InchiKey	XMLWGUKRPGLJGA-CABCVRRESA-N
SMILES	COc1cc(ccc1O)C[C@@H]1COC(=O)[C@H]1Cc1cc(OC)c(c(c1)OC)O
Inchi	InChI=1S/C21H24O7/c1-25-17-8-12(4-5-16(17)22)6-14-11-28-21(24)15(14)7-13-9-18(26-2)20(23)19(10-13)27-3/h4-5,8-10,14-15,22-23H,6-7,11H2,1-3H3/t14-,15+/m1/s1
IUPAC	(3S,4S)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Molecular Weight	388.15
Pubchem Id	192827
Chembl Id	CHEMBL469917

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

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	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	-	1100	-	-
reviewed	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	-	>100000	-	-

CHEMBL

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
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	IC50	'='	1100	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	IC50	'>'	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00918	Urbanodendron verrucosum	Urbanodendron verrucosum	Others
BXGF00960	Adenia fruticosa	Adenia fruticosa	Others
BXGF00986	Centrosema haitense	Centrosema haitense	Others
BXGF01080	Piper cubeba	Piper cubeba	Medicinal Plant
BXGF01095	Bupleurum salicifolium	Bupleurum salicifolium	Others
BXGF01128	Aster ptarmicoides	Aster ptarmicoides	Medicinal Plant
BXGF01202	Osteospermum hyoseroides	Osteospermum hyoseroides	Others
BXGF01375	Pinus massoniana	Pinus massoniana	Medicinal Plant
BXGF01441	Hopea brevipetiolaris	Hopea brevipetiolaris	Others
BXGF01494	Sedum cepaea	Sedum cepaea	Medicinal Plant
BXGF01867	Rubus phoenicolasius	Rubus phoenicolasius	Medicinal Plant
BXGF02244	Galium album	Galium album	Medicinal Plant
BXGF02473	Echinochloa esculenta	Echinochloa esculenta	Human Edible Plant
BXGF03040	Lophozia floerkei	Lophozia floerkei	Others
BXGF03561	Saussurea pulchella	Saussurea pulchella	Medicinal Plant
BXGF04107	Plagiomnium undulatum	Plagiomnium undulatum	Others
BXGF04935	Artemisia caucasica	Artemisia caucasica	Others
BXGF05122	Echinopepon bigelovii	Echinopepon bigelovii	Others
BXGF05206	Corydalis gigantea	Corydalis gigantea	Medicinal Plant
BXGF05373	Torricellia tiliifolia	Torricellia tiliifolia	Others
BXGF05697	Dysosma delavayi	Dysosma delavayi	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}