Erythrodiol | MMP-AC0062

	Compound Name :	Erythrodiol
	Compound Class :	Terpenoids
	Synonyms :	Erythrodiol; 545-48-2; 3beta-Erythrodiol; UNII-3VWF903FSS; (3beta)-Olean-12-ene-3,28-diol;
	Compound Extracted from :	Erythrodiol is extracted / reported from 2 Plant(s) of Melghat Flora as below MS008: Abutilon pannosum (G. Forst.) Schltdl. ; MS116: Capparis sepiaria L.;

	Molecular Formula :	C30H50O2
	Molecular Weight :	442.7
	InChi Key :	PSZDOEIIIJFCFE-OSQDELBUSA-N
	IUPAC :	(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
	InChi :	InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1
	Hydrogen Bond Donor count :	2
	Hydrogen Bond Acceptor count :	2
	Rotational Bond count :	1
	TPSA :	40.5
	LogP Value :	7.6

	Lipinski Rule of Five :	No
	Ghose Filter :	No
	Veber Filter :	Yes
	Muegge Filter :	No

	PubChem CID :	101761
	Drugbank ID :	-
	Super Natural :	-
	CTD :	C077953
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://www.ncbi.nlm.nih.gov/pubmed/21899058

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0062	HT-29	Colon	-	48.8±3.7 µM	-	-	18384095

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0062	CASP3	caspase 3, apoptosis-related cysteine peptidase	836	Colon Cancer	HT-29	-	-	-	-	Exposure of cells for 24 h to 50, 100, and 150 lM erythrodiol increased caspase-3-like activity by 3.2-, 4.8-, and 5.2-fold over that in control cells.	18384095

MMP-AC0062 : Erythrodiol