Wedelolactone | MMP-AC0225

	Compound Name :	Wedelolactone
	Compound Class :	Benzopyranoids
	Synonyms :	7-Methoxy-5,11,12-trihydroxycoumestan; 7-Methoxy-5,11,12-trihydroxy-coumestan; IKK Inhibitor II; 1,8,9-Trihydroxy-3-methoxycoumestan
	Compound Extracted from :	Wedelolactone is extracted / reported from 1 Plant(s) of Melghat Flora as below MT033: Ougeinia oojeinensis (Roxb.)Hochr.;

	Molecular Formula :	C16H10O7
	Molecular Weight :	314.25
	InChi Key :	XQDCKJKKMFWXGB-UHFFFAOYSA-N
	IUPAC :	1,8,9-trihydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
	InChi :	InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3
	Hydrogen Bond Donor count :	3
	Hydrogen Bond Acceptor count :	7
	Rotational Bond count :	1
	TPSA :	109
	LogP Value :	2.4

	Lipinski Rule of Five :	Yes
	Ghose Filter :	Yes
	Veber Filter :	Yes
	Muegge Filter :	Yes

	PubChem CID :	5281813
	Drugbank ID :	-
	Super Natural :	000524129
	CTD :	000524129
	HIT :	C0025
	NCI-60 GI50 data :	-

	Reference(s) :	https://pubchem.ncbi.nlm.nih.gov/compound/5281813

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0225	103E	Prostate	0.3 痢/ml	-	-	-	17942463
MMP-AC0225	22Rv1	Prostate	0.4 痢/ml	-	-	-	17942463
MMP-AC0225	LNCaP	Prostate	0.8 痢/ml	-	-	-	17942463
MMP-AC0225	PC-3	Prostate	75.3 痢/ml	-	-	-	17942463

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0225	AR	androgen receptor	367	Prostate Cancer	22Rv1	-	-	-	-	In correlation with the AR suppression effect, this active compound specifically inhibited the growth of AR-dependent PCa cells	17942463
MMP-AC0225	AR	androgen receptor	367	Prostate Cancer	LNCaP	-	-	-	-	In correlation with the AR suppression effect, this active compound specifically inhibited the growth of AR-dependent PCa cells	17942463
MMP-AC0225	AR	androgen receptor	367	Prostate Cancer	PC-3	-	-	-	-	In correlation with the AR suppression effect, this active compound specifically inhibited the growth of AR-dependent PCa cells	17942463

MMP-AC0225 : Wedelolactone