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ScientificNameLabel
neopellitorine B
PHCD compound ID : 2023
Chemical Names :
neopellitorine B
Molecular Formula : C15H25N1O1
Molecular Weight : 235.193614
More Details :
Names & Synonyms: (2E,4E)-1-(1-piperidyl)deca-2,4-dien-1-one , (2E,4E)-1-(1-piperidinyl)-1-deca-2,4-dienone , (2E,4E)-1-piperidin-1-yldeca-2,4-dien-1-one , (2E,4E)-1-piperidinodeca-2,4-dien-1-one
Smiles: CCCCC/C=C/C=C/C(=O)N1CCCCC1
InChi : InChI=1S/C15H25NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h6-7,9,12H,2-5,8,10-11,13-14H2,1H3/b7-6+,12-9+
InChi Key : InChIKey=ZPSGREUUQGTKDE-ZICOIJLXSA-N
PubChem ID : 11118018
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.084276
Hydrogen bond donor count : 0 Electric dipole moment : 4.059
XLogP : 4.397 VDW volume : 267.51738
Molecular weight : 235.193614 HOMO-LUMO gap : 8.800000
Herb list :
Refrences & Litretures:
  
239.      Journal:'J. Agric. Food Chem'      Year:'2011'      Volume:'59'      Page:'11367'      DOI:'10.1021/jf202277w'      Title:'Artemisia dracunculus L. (Tarragon): A Critical Review of Its Traditional Use, Chemical Composition, Pharmacology, and Safety'
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