Sumatrol | MMP-AC0073

	Compound Name :	Sumatrol
	Compound Class :	Flavonoid
	Synonyms :	Sumatrol; UNII-69G1LPQ7X0; 82-10-0; 69G1LPQ7X0; CHEBI:9358;
	Compound Extracted from :	Sumatrol is extracted / reported from 2 Plant(s) of Melghat Flora as below MH073: Cassia tora L.; MS039: Indigofera tinctoria L.;

	Molecular Formula :	C23H22O7
	Molecular Weight :	410.4
	InChi Key :	(1S,6R,13S)-10-hydroxy-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
	IUPAC :	(1S,6R,13S)-10-hydroxy-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/C23H22O7/c1-10(2)14-6-12-16(29-14)7-13(24)21-22(25)20-11-5-17(26-3)18(27-4)8-15(11)28-9-19(20)30-23(12)21/h5,7-8,14,19-20,24H,1,6,9H2,2-4H3/t14-,19-,20+/m1/s1
	Hydrogen Bond Donor count :	1
	Hydrogen Bond Acceptor count :	7
	Rotational Bond count :	3
	TPSA :	83.4
	LogP Value :	4.3

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

	PubChem CID :	442824
	Drugbank ID :	-
	Super Natural :	-
	CTD :	-
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://www.ncbi.nlm.nih.gov/pubmed/29259888

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0073	Hepa 1c1c7	Liver	>47 然	-	-	-	14510590

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References

MMP-AC0073 : Sumatrol