Psychotrine | MMP-AC0215

	Compound Name :	Psychotrine
	Compound Class :	Alkaloids
	Synonyms :	1',2'-Didehydro-7',10,11-trimethoxyemetan-6'-ol; 1',15-Didehydro-7',10,11-trimethoxyemetan-6'-ol; 7',10,11-Trimethoxy-1',5'-didehydro-5',6'-dihydroemetan-6'-one
	Compound Extracted from :	Psychotrine is extracted / reported from 1 Plant(s) of Melghat Flora as below MT103: Alangium salviifolium (L.f.) Wangerin;

	Molecular Formula :	C28H36N2O4
	Molecular Weight :	464.6
	InChi Key :	NCALAYAMQHIWMN-REIDKSKDSA-N
	IUPAC :	1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-3,4-dihydroisoquinolin-6-ol
	InChi :	InChI=1S/C28H36N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,24,31H,5-11,16H2,1-4H3/t17-,20-,24-/m0/s1
	Hydrogen Bond Donor count :	1
	Hydrogen Bond Acceptor count :	6
	Rotational Bond count :	6
	TPSA :	63.5
	LogP Value :	4.3

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

	PubChem CID :	65380
	Drugbank ID :	-
	Super Natural :	C116895
	CTD :	-
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://pubchem.ncbi.nlm.nih.gov/compound/65380

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0215	SKNSH	Bone marrow	-	-	4 痢/mL	-	10514334
MMP-AC0215	BC-1	Breast	-	-	3.4 痢/mL	-	10514334
MMP-AC0215	Col-2	Colon	-	-	4.5 痢/mL	-	10514334
MMP-AC0215	LU-1	Lung	-	-	5.7 痢/mL	-	10514334
MMP-AC0215	M-109	Lung	-	-	9 痢/mL	-	10514334
MMP-AC0215	KB	Nasopharyngeal	-	-	2.8 痢/mL	-	10514334
MMP-AC0215	SW-626	Ovary	-	-	13.3 痢/mL	-	10514334
MMP-AC0215	LNCaP	Prostate	-	-	2.3 痢/mL	-	10514334

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

MMP-AC0215 : Psychotrine