acompound

General Compound Information
BXGC Id	BXGC0049832
Compound Name	isosclerone
Structure
Formula	C10H10O3
InchiKey	ZXYYTDCENDYKBR-ZETCQYMHSA-N
SMILES	O[C@H]1CCC(=O)c2c1cccc2O
Inchi	InChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,7,11-12H,4-5H2/t7-/m0/s1
IUPAC	(4S)-4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one
Molecular Weight	178.06
Pubchem Id	13369486
Chembl Id	CHEMBL3318321

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	BXGT010317	Caspase-3	reviewed	Enzyme	CASP3	732120	-	-	-
reviewed	BXGT007567	Apoptosis regulator Bcl-2	reviewed	Signaling	BCL2	474760	-	-	-

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
P42574	BXGT010317	Caspase-3	reviewed	Enzyme	CASP3	Ki	'='	732120	nM
O15111	BXGT004126	Inhibitor of nuclear factor kappa-B kinase subunit alpha	reviewed	Kinase	CHUK	Inhibition	-	-	-
P10415	BXGT007567	Apoptosis regulator Bcl-2	reviewed	Signaling	BCL2	Ki	'='	474760	nM
O14920	BXGT004110	Inhibitor of nuclear factor kappa-B kinase subunit beta	reviewed	Kinase	IKBKB	Inhibition	-	-	-
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	Inhibition	-	-	-
P19838	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	Inhibition	-	-	-
Q00653	BXGT012541	Nuclear factor NF-kappa-B p100 subunit	reviewed	Transcription factor	NFKB2	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02546	Senna didymobotrya	Senna didymobotrya	Medicinal Plant
BXGF02740	Anemone thalictroides	Anemone thalictroides	Medicinal Plant
BXGF03408	Tecoma undulata	Tecoma undulata	Others
BXGF03437	Alhagi maurorum	Alhagi maurorum	Medicinal Plant
BXGF03729	Pulicaria insignis	Pulicaria insignis	Others
BXGF03791	Pistacia chinensis	Pistacia chinensis	Medicinal Plant
BXGF03809	Lobelia inflata	Lobelia inflata	Medicinal Plant
BXGF03856	Goniothalamus dolichocarpus	Goniothalamus dolichocarpus	Others
BXGF03903	Helicia nilagirica	Helicia nilagirica	Human Edible Plant
BXGF03906	Erythrophleum chlorostachys	Erythrophleum chlorostachys	Others
BXGF03942	Phaleria macrocarpa	Phaleria macrocarpa	Medicinal Plant
BXGF04000	Viola philippica	Viola philippica	Others
BXGF04001	Guettarda platypoda	Guettarda platypoda	Others
BXGF04010	Sapium indicum	Sapium indicum	Medicinal Plant
BXGF04015	Allium angulosum	Allium angulosum	Medicinal Plant
BXGF04025	Desmodium pulchellu	Desmodium pulchellu	Others
BXGF04415	Vernonia brevifolia	Vernonia brevifolia	Others
BXGF04661	Achyrocline tomentosa	Achyrocline tomentosa	Medicinal Plant
BXGF05139	Achyranthes obtusifolia	Achyranthes obtusifolia	Medicinal Plant
BXGF05693	Picea jezoensis var. jezoensis	Picea jezoensis var. jezoensis	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}