N-Methylpelletierene

ScientificNameLabel

N-Methylpelletierene
PHCD compound ID :	4445
Chemical Names :	N-Methylpelletierene
Molecular Formula :	C9H17N1O1
Molecular Weight :	155.131014

More Details :

Names & Synonyms:
Smiles:	CC(=O)C[C@@H]1CCCCN1C
InChi :	InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m0/s1
InChi Key :	InChIKey=TYHJMEIBGDDCPA-VIFPVBQESA-N
PubChem ID :

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	8.737906
Hydrogen bond donor count :	0	Electric dipole moment :	3.274
XLogP :	0.769	VDW volume :	169.01439
Molecular weight :	155.131014	HOMO-LUMO gap :	9.687000

Herb list :

Pomegranate - Punica granatum - گلنار، انار

Refrences & Litretures:


658. Journal:'Journal of Ethnopharmacology' Year:'2007' Volume:'109' Page:'177' DOI:'10.1016/j.jep.2006.09.006' Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'

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