acompound

Showing entry for Daphnodorin F

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0052080
Compound Name	Daphnodorin F
Structure
Formula	C30H22O10
InchiKey	KVPJDVHJFGPPAB-XOHQIPOJSA-N
SMILES	Oc1ccc(cc1)[C@@H]1CCc2c(O1)c1c(cc2O)O[C@@]2([C@]1(O)C(=O)c1c(O)cc(cc1O2)O)c1ccc(cc1)O
Inchi	InChI=1S/C30H22O10/c31-16-5-1-14(2-6-16)22-10-9-19-20(34)13-24-26(27(19)38-22)29(37)28(36)25-21(35)11-18(33)12-23(25)39-30(29,40-24)15-3-7-17(32)8-4-15/h1-8,11-13,22,31-35,37H,9-10H2/t22-,29+,30+/m0/s1
IUPAC
Molecular Weight	542.12
Pubchem Id	70688394
Chembl Id	CHEMBL2048507

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	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	-	23280	-	-
reviewed	BXGT010462	Collagenase 3	reviewed	Enzyme	MMP13	-	13170	-	-
reviewed	BXGT006758	Stromelysin-1	reviewed	Enzyme	MMP3	-	22300	-	-
reviewed	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	-	21240	-	-

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
P08254	BXGT006758	Stromelysin-1	reviewed	Enzyme	MMP3	Inhibition	'>'	30	%
P08253	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	IC50	'='	23280	nM
P45452	BXGT010462	Collagenase 3	reviewed	Enzyme	MMP13	IC50	'='	13170	nM
P14780	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	IC50	'='	21240	nM
P39900	BXGT010148	Macrophage metalloelastase	reviewed	Enzyme	MMP12	IC50	-	-	-
P14780	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	Inhibition	'>'	30	%
P03956	BXGT006120	Interstitial collagenase	reviewed	Enzyme	MMP1	IC50	-	-	-
P08254	BXGT006758	Stromelysin-1	reviewed	Enzyme	MMP3	IC50	'='	22300	nM
P08253	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	Inhibition	'>'	30	%
P45452	BXGT010462	Collagenase 3	reviewed	Enzyme	MMP13	Inhibition	'>'	30	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00983	Marshallia graminifolia	Marshallia graminifolia	Others
BXGF01015	Acer caudatifolium	Acer caudatifolium	Others
BXGF01366	Baccharis macraei	Baccharis macraei	Others
BXGF01379	Astragalus sinicus	Astragalus sinicus	Medicinal Plant
BXGF01746	Salacia cordata	Salacia cordata	Human Edible Plant
BXGF01849	Aconitum heterophyllum	Aconitum heterophyllum	Medicinal Plant
BXGF02002	Vernonia megapotamica	Vernonia megapotamica	Others
BXGF02255	Serratula strangulata	Serratula strangulata	Medicinal Plant
BXGF02401	Mikania goyazensis	Mikania goyazensis	Others
BXGF02498	Cynoglossum formosanum	Cynoglossum formosanum	Others
BXGF02674	Eugenia sandwicensis	Eugenia sandwicensis	Medicinal Plant
BXGF02760	Lindera glauca	Lindera glauca	Medicinal Plant
BXGF02882	Chrysanthemum leptophyllum	Chrysanthemum leptophyllum	Others
BXGF02955	Oxytropis ochrocephala	Oxytropis ochrocephala	Others
BXGF05208	Daphne odora	Daphne odora	Medicinal Plant
BXGF05772	Rumohra adiantiformis	Rumohra adiantiformis	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}