Caryophyllene | MMP-AC0074

	Compound Name :	Caryophyllene
	Compound Class :	Terpenoids
	Synonyms :	BETA-CARYOPHYLLENE; Caryophyllene; (-)-trans-Caryophyllene; (-)-beta-caryophyllene; 87-44-5;
	Compound Extracted from :	Caryophyllene is extracted / reported from 27 Plant(s) of Melghat Flora as below MG018: Cymbopogon martinii (Roxb.) J.F. Watson; MH061: Psoralea corylifolia L.; MH091: Pimpinella monoica Dalzell; MH094: Borreria stricta G. Mey.; MH099: Ageratum conyzoides L. ; MH106: Blumea mollis (D.Don) Merr.; MH188: Stemodia viscosa Roxb.; MH220: Lavandula bipinnata (Roth) Kuntze; MH232: Plectranthus rugosus Wall. ex Benth.; MH262: Euphorbia thymifolia L. ; MH271: Blumea bifoliata (L.) DC.; MH331: Cyperus iria L.; MH366: Senecio nudicaulis Buch.-Ham. ex D.Don; MH392: Zingiber nimmonii (J.Graham) Dalzell; MH418: Cyclospermum leptophyllum (Pers.) Sprague; MS025: Murraya koenigii (L.) Spreng.; MS048: Caesalpinia decapetala (Roth) Alston; MS080: Peristrophe bicalyculata (Retz.) Nees; MS083: Lantana camara L.; MS085: Vitex negundo L.; MS089: Pogostemon benghalensis (Burm.f.) Kuntze; MS099: Cassia hirsuta L.; MT017: Chloroxylon swietenia (Roxb.) DC.; MT051: Syzygium cumini (L.) Skeels; MT086: Ficus cunia Buch.-Ham. ex Roxb.; MT095: Magnolia champaca (L.) Baill. ex Pierre.; MT097: Polyalthia longifolia (Sonn.) Thwaites;

	Molecular Formula :	C15H24
	Molecular Weight :	204.35
	InChi Key :	NPNUFJAVOOONJE-GFUGXAQUSA-N
	IUPAC :	(1R,4E,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 :	5281515
	Drugbank ID :	-
	Super Natural :	-
	CTD :	C024714
	HIT :	C0040
	NCI-60 GI50 data :	-

	Reference(s) :	https://www.ncbi.nlm.nih.gov/pubmed/29154797

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0074	MCF-7	Breast	17.1±0.8M	-	-	-	19656204
MMP-AC0074	HL-60	Haematopoietic and Lymphoid tissue	19.31 µg/ml	-	-	-	20359874
MMP-AC0074	B16	Skin	190 µMol/L	-	-	-	11741740

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

MMP-AC0074 : Caryophyllene