acompound

Showing entry for Obovatal

General Compound Information
BXGC Id	BXGC0043086
Compound Name	Obovatal
Structure
Formula	C18H16O4
InchiKey	KGHJODCHEIEYBP-HWKANZROSA-N
SMILES	C=CCc1ccc(cc1)Oc1cc(/C=C/C=O)cc(c1O)O
Inchi	InChI=1S/C18H16O4/c1-2-4-13-6-8-15(9-7-13)22-17-12-14(5-3-10-19)11-16(20)18(17)21/h2-3,5-12,20-21H,1,4H2/b5-3+
IUPAC	(E)-3-[3,4-dihydroxy-5-(4-prop-2-enylphenoxy)phenyl]prop-2-enal
Molecular Weight	296.1
Pubchem Id	6439677
Chembl Id	CHEMBL242530

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

50210455

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	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	-	800	-	-

CHEMBL

CHEMBL242530

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
P08253	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	IC50	'='	800	nM
P08253	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00397	Colorado pinyon	Pinus edulis	Nuts
BXGF00459	Wax gourd	Benincasa hispida	Gourds
BXGF00863	Pyrus bourgaeana	Pyrus bourgaeana	Human Edible Plant
BXGF01020	Baccharis truncata	Baccharis truncata	Others
BXGF01101	Ononis viscosa	Ononis viscosa	Others
BXGF01192	Cuphea hyssopifolia	Cuphea hyssopifolia	Human Edible Plant
BXGF01237	Magnolia obovata	Magnolia obovata	Medicinal Plant
BXGF01394	Holarrhena floribunda	Holarrhena floribunda	Medicinal Plant
BXGF01565	Farfugium japonicum	Farfugium japonicum	Medicinal Plant
BXGF01600	Sedum sarmentosum	Sedum sarmentosum	Medicinal Plant
BXGF01628	Salvia broussonetii	Salvia broussonetii	Others
BXGF01656	Eria rigida	Eria rigida	Others
BXGF01691	Gynoxys verrucosa	Gynoxys verrucosa	Others
BXGF01843	Triunia erythrocarpa	Triunia erythrocarpa	Others
BXGF01984	Chloranthus fortunei	Chloranthus fortunei	Others
BXGF02007	Sandoricum koetjape	Sandoricum koetjape	Medicinal Plant
BXGF02033	Suaeda maritima	Suaeda maritima	Medicinal Plant
BXGF02058	Pedicularis rex	Pedicularis rex	Others
BXGF02409	Euphorbia palustris	Euphorbia palustris	Medicinal Plant
BXGF02451	Sorbus torminalis	Sorbus torminalis	Medicinal Plant
BXGF03957	Centaurea benedicta	Centaurea benedicta	Medicinal Plant
BXGF04069	Posidonia oceanica	Posidonia oceanica	Others
BXGF04381	Chuquiraga erinacea	Chuquiraga erinacea	Others
BXGF05099	Alpinia flabellata	Alpinia flabellata	Medicinal Plant
BXGF05249	Fouquieria diguetii	Fouquieria diguetii	Others
BXGF05701	Euphorbia pithyusa	Euphorbia pithyusa	Others
BXGF05915	Fritillaria hupehensis	Fritillaria hupehensis	Medicinal Plant
BXGF06054	Angelica japonica	Angelica japonica	Medicinal Plant
BXGF06158	Lathyrus latifolius	Lathyrus latifolius	Medicinal Plant
BXGF06244	Pterocarpus erinaceus	Pterocarpus erinaceus	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}