Alpha-amyrin | MMP-AC0055

	Compound Name :	Alpha-amyrin
	Compound Class :	Terpenoids
	Synonyms :	alpha-Amyrin; Viminalol; 638-95-9; alpha-Amyrenol; alpha-Amyrine;
	Compound Extracted from :	Alpha-amyrin is extracted / reported from 23 Plant(s) of Melghat Flora as below MC022: Pergularia daemia (Forssk.) Chiov.; MC060: Cissus quadrangularis ; MH104: Blumea laciniata (Wall. ex Roxb.) DC. ; MH134: Spilanthes calva DC.; MH159: Convolvulus arvensis L; MH186: Scoparia dulcis L.; MH272: Blumea lacera (Burm.f.) DC.; MS003: Capparis zeylanica L.; MS020: Grewia hirsuta Vahl; MS066: Holostemma annulare (Roxb.) K. Schumann; MS067: Leptadenia reticulata (Retz.) Wight; MS068: Hemidesmus indicus (L.) R. Br.; MS084: Nyctanthes arbor-tristis L.; MS100: Ichnocarpus ovatifolius A. DC.; MS116: Capparis sepiaria L.; MT058: Gardenia turgida Roxb.; MT062: Madhuca indica J.F. Gmel.; MT063: Diospyros melanoxylon Roxb. ; MT066: Wrightia tinctoria Roem.; MT068: Cordia dichotoma Forster. f., Prodr.; MT088: Ficus racemosa L.; MT113: Ficus lacor Buch-Ham; MT120: Mesua ferrea L.;

	Molecular Formula :	C30H50O
	Molecular Weight :	426.7
	InChi Key :	FSLPMRQHCOLESF-SFMCKYFRSA-N
	IUPAC :	(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
	InChi :	InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
	Hydrogen Bond Donor count :	1
	Hydrogen Bond Acceptor count :	1
	Rotational Bond count :	0
	TPSA :	20.2
	LogP Value :	9

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

	PubChem CID :	73170
	Drugbank ID :	-
	Super Natural :	000638959
	CTD :	C036380
	HIT :	C0066
	NCI-60 GI50 data :	-

	Reference(s) :	https://www.ncbi.nlm.nih.gov/pubmed/22577623

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0055	MCF-7	Breast	3.05±0.05	-	-	-	21846263
MMP-AC0055	HCT-116	Colon	2.9±0.2	-	-	-	21846263

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

MMP-AC0055 : Alpha-amyrin