Gamma-Caryophyllene | MMP-AC0188

	Compound Name :	Gamma-Caryophyllene
	Compound Class :	Terpenoids
	Synonyms :	Isocaryophyllene 118-65-0 Caryophyllene (-)-ISOCARYOPHYLLENE Cis-caryophyllene
	Compound Extracted from :	Gamma-Caryophyllene is extracted / reported from 1 Plant(s) of Melghat Flora as below MS083: Lantana camara L.;

	Molecular Formula :	C15H24
	Molecular Weight :	204.35
	InChi Key :	NPNUFJAVOOONJE-FLFDDASRSA-N
	IUPAC :	(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
	InChi :	InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1
	Hydrogen Bond Donor count :	0
	Hydrogen Bond Acceptor count :	0
	Rotational Bond count :	0
	TPSA :	0
	LogP Value :	4.4

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

	PubChem CID :	5281522
	Drugbank ID :	-
	Super Natural :	000087445
	CTD :	C024714
	HIT :	C0040
	NCI-60 GI50 data :	-

	Reference(s) :	https://pubchem.ncbi.nlm.nih.gov/compound/5281522#section=Computed-Properties

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0188	MCF-7	Breast	-	-	-	84±6 µM	12802719
MMP-AC0188	CT-26	Colon	-	-	-	46±1 µM	12802719
MMP-AC0188	DLD-1	Colon	-	-	-	102±12 µM	12802719
MMP-AC0188	L929	Connective tissue	-	-	-	34±1 µM	12802719
MMP-AC0188	A549	Lung	-	-	-	59±4 µM	12802719
MMP-AC0188	PC-3	Prostate	-	-	-	87±8 µM	12802719
MMP-AC0188	M-4-BEU	Skin	-	-	-	43±3 µM	12802719

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

MMP-AC0188 : Gamma-Caryophyllene