Rotenone | MMP-AC0072

	Compound Name :	Rotenone
	Compound Class :	Flavonoid
	Synonyms :	rotenone; 83-79-4; Dactinol; Paraderil; Barbasco;
	Compound Extracted from :	Rotenone is extracted / reported from 2 Plant(s) of Melghat Flora as below MS039: Indigofera tinctoria L.; MS045: Tephrosia purpurea (L.) Pers.;

	Molecular Formula :	C23H22O6
	Molecular Weight :	394.4
	InChi Key :	JUVIOZPCNVVQFO-HBGVWJBISA-N
	IUPAC :	(1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
	InChi :	InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
	Hydrogen Bond Donor count :	0
	Hydrogen Bond Acceptor count :	6
	Rotational Bond count :	3
	TPSA :	63.2
	LogP Value :	4.1

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

	PubChem CID :	6758
	Drugbank ID :	DB11457
	Super Natural :	000083794
	CTD :	D012402
	HIT :	C0444
	NCI-60 GI50 data :	-

	Reference(s) :	https://www.ncbi.nlm.nih.gov/pubmed/28110601

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0072	H295R	Adrenal	0.3±0.1 µM	-	-	-	15319488

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0072	CYP19A1	cytochrome P450, family 19, subfamily A, polypeptide 1	1588	Adrenocortical Carcinoma	H295R	0.3 µM	-	-	-	Rotenone (a flavonoid derivative) was by far the most potent aromatase inhibitor, with an IC50 value of about 0.3 µM.	15319488
MMP-AC0072	NDUFS1	NADH dehydrogenase (ubiquinone) Fe-S protein 1, 75kDa (NADH-coenzyme Q reductase)	4719	Breast adenocarcinoma	MCF-7	-	-	-	-	inhibition of NADH:ubiquinone oxidoreductase activity lowers the level of induced ODC activity leading to the antiproliferative effect and anticancer action.	9520374

MMP-AC0072 : Rotenone