acompound

Showing entry for Triptophenolide

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0016698
Compound Name	Triptophenolide
Structure
Formula	C20H24O3
InchiKey	KPXIBWGPZSPABK-FXAWDEMLSA-N
SMILES	O=C1OCC2=C1CC[C@]1([C@H]2CCc2c1ccc(c2O)C(C)C)C
Inchi	InChI=1S/C20H24O3/c1-11(2)12-4-6-16-14(18(12)21)5-7-17-15-10-23-19(22)13(15)8-9-20(16,17)3/h4,6,11,17,21H,5,7-10H2,1-3H3/t17-,20+/m0/s1
IUPAC	(3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one
Molecular Weight	312.17
Pubchem Id	173273
Chembl Id	CHEMBL3039217

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	BXGT008096	Androgen receptor	reviewed		Ar	-	467	-	-
reviewed	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	-	260	-	-

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
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	FC	'='	3	-
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	IC50	'='	260	nM
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Inhibition	-	-	-
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	110	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	120	%
P15207	BXGT008096	Androgen receptor	reviewed	-	Ar	IC50	'='	467	nM
P15207	BXGT008096	Androgen receptor	reviewed	-	Ar	Inhibition	-	-	-
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01167	Tripterygium hypoglaucum	Tripterygium hypoglaucum	Others
BXGF01667	Tripterygium wilfordii	Tripterygium wilfordii	Medicinal Plant
BXGF03656	Tripterygium regelii	Tripterygium regelii	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}