acompound

Showing entry for Methyl 1-Formyloxy-4'-Demethoxy-3',4'-Methylenedioxyrocaglate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035176
Compound Name	Methyl 1-Formyloxy-4'-Demethoxy-3',4'-Methylenedioxyrocaglate
Structure
Formula	C29H26O10
InchiKey	XKYRDXZNJADCQR-IDAMAFBJSA-N
SMILES	O=CO[C@@H]1[C@H](C(=O)OC)[C@H]([C@]2([C@]1(O)c1c(OC)cc(cc1O2)OC)c1ccc2c(c1)OCO2)c1ccccc1
Inchi	InChI=1S/C29H26O10/c1-33-18-12-21(34-2)25-22(13-18)39-29(17-9-10-19-20(11-17)38-15-37-19)24(16-7-5-4-6-8-16)23(27(31)35-3)26(36-14-30)28(25,29)32/h4-14,23-24,26,32H,15H2,1-3H3/t23-,24-,26-,28+,29+/m1/s1
IUPAC	methyl (1R,2R,3S,3aR,8bS)-3a-(1,3-benzodioxol-5-yl)-1-formyloxy-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
Molecular Weight	534.15
Pubchem Id	10721063
Chembl Id	CHEMBL2331811

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

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
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	ED50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00132	Scarlet bean	Phaseolus coccineus	Pulses
BXGF00300	Chayote	Sechium edule	Gourds
BXGF01582	Pinus yunnanensis	Pinus yunnanensis	Others
BXGF02935	Duguetia chrysocarpa	Duguetia chrysocarpa	Others
BXGF03591	Ammodendron karelinii	Ammodendron karelinii	Others
BXGF04452	Citrus japonica	Citrus japonica	Medicinal Plant
BXGF05326	Aglaia perviridis	Aglaia perviridis	Human Edible 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}