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Compound: 5546
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References: 992
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Oreophiline
ScientificNameLabel
Oreophiline
PHCD compound ID :
3601
Chemical Names :
Oreophiline
Molecular Formula :
C22H25N1O6
Molecular Weight :
399.168188
More Details :
Names & Synonyms:
Smiles:
COc1cc2CN3CCc4c([C@@H]3Cc2c(c1OC)CO)c(OC)c1c(c4)OCO1
InChi :
InChI=1S/C22H25NO6/c1-25-17-7-13-9-23-5-4-12-6-18-21(29-11-28-18)22(27-3)19(12)16(23)8-14(13)15(10-24)20(17)26-2/h6-7,16,24H,4-5,8-11H2,1-3H3/t16-/m0/s1
InChi Key :
InChIKey=RJZGHQFMKACAHM-INIZCTEOSA-N
PubChem ID :
161692
Rotatable bond count :
4
Rule of five :
0
Hydrogen bond acceptor count :
7
Ionization potential :
8.370451
Hydrogen bond donor count :
1
Electric dipole moment :
3.366
XLogP :
0.957
VDW volume :
353.405195
Molecular weight :
399.168188
HOMO-LUMO gap :
8.532000
Herb list :
Great scarlet poppy - Papaver bracteatum - خشخاش طناز، خشخاش کبیر، خشخاش سیاه
Refrences & Litretures:
501. Journal:'Journal of Medicinal Plants' Year:'2015' Volume:'14' Page:'6' DOI:'' Title:'A Systematic Review on Main Chemical Constituents of Papaver bracteatum'
502. Journal:'Journal of Ethnopharmacology' Year:'1981' Volume:'3' Page:'21' DOI:'' Title:'BIOLOGICAL ACTIVITY OF THE ALKALOIDS OF PAPAVER BRACTEATUM LINDL'
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