acompound

Showing entry for Robustadial A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0040835
Compound Name	Robustadial A
Structure
Formula	C23H30O5
InchiKey	SULUCYRQUAHFJK-NNKAPNPISA-N
SMILES	O=Cc1c2O[C@]3(CC[C@@H]4C[C@H]3C4(C)C)C[C@H](c2c(c(c1O)C=O)O)CC(C)C
Inchi	InChI=1S/C23H30O5/c1-12(2)7-13-9-23(6-5-14-8-17(23)22(14,3)4)28-21-16(11-25)19(26)15(10-24)20(27)18(13)21/h10-14,17,26-27H,5-9H2,1-4H3/t13-,14-,17+,23-/m1/s1
IUPAC	(1'R,2R,4R,5'S)-5,7-dihydroxy-6',6'-dimethyl-4-(2-methylpropyl)spiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.1]heptane]-6,8-dicarbaldehyde
Molecular Weight	386.21
Pubchem Id	44558995
Chembl Id	CHEMBL509920

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	BXGT006320	Plasminogen activator inhibitor 1	reviewed	Enzyme modulator	SERPINE1	-	152000	-	-

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
P05121	BXGT006320	Plasminogen activator inhibitor 1	reviewed	Enzyme modulator	SERPINE1	IC50	'='	152000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02745	Rauvolfia verticillata	Rauvolfia verticillata	Medicinal Plant
BXGF02855	Eucalyptus albens	Eucalyptus albens	Others
BXGF06079	Pueraria montana var. lobata	Pueraria montana var. lobata	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}