acompound

Showing entry for 1-O-Formylaglafoline

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0052557
Compound Name	1-O-Formylaglafoline
Structure
Formula	C29H28O9
InchiKey	HMAGEEKSMOZIOP-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)c1ccc(cc1)OC)c1ccccc1
Inchi	InChI=1S/C29H28O9/c1-33-19-12-10-18(11-13-19)29-24(17-8-6-5-7-9-17)23(27(31)36-4)26(37-16-30)28(29,32)25-21(35-3)14-20(34-2)15-22(25)38-29/h5-16,23-24,26,32H,1-4H3/t23-,24-,26-,28+,29+/m1/s1
IUPAC	methyl (1R,2R,3S,3aR,8bS)-1-formyloxy-8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
Molecular Weight	520.17
Pubchem Id	10839697
Chembl Id	CHEMBL558707

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	'>'	20	uM

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
BXGF02627	Erophaca baetica subsp. baetica	Erophaca baetica subsp. baetica	Others
BXGF02935	Duguetia chrysocarpa	Duguetia chrysocarpa	Others
BXGF03203	Senecio asper	Senecio asper	Others
BXGF03591	Ammodendron karelinii	Ammodendron karelinii	Others
BXGF04452	Citrus japonica	Citrus japonica	Medicinal Plant
BXGF05326	Aglaia perviridis	Aglaia perviridis	Human Edible Plant
BXGF05679	Aglaia dasyclada	Aglaia dasyclada	Others
BXGF05920	Pyrola media	Pyrola media	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}