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Compound: 5546
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References: 992
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O-methylflavinantine
ScientificNameLabel
O-methylflavinantine
PHCD compound ID :
3568
Chemical Names :
O-methylflavinantine
Molecular Formula :
C20H23N1O4
Molecular Weight :
341.162708
More Details :
Names & Synonyms:
Smiles:
COC1=C[C@@]23CCN([C@@H](C2=CC1=O)Cc1c3cc(OC)c(c1)OC)C
InChi :
InChI=1S/C20H23NO4/c1-21-6-5-20-11-19(25-4)16(22)9-14(20)15(21)7-12-8-17(23-2)18(24-3)10-13(12)20/h8-11,15H,5-7H2,1-4H3/t15-,20-/m1/s1
InChi Key :
InChIKey=DBPGJIUVRZHFCM-FOIQADDNSA-N
PubChem ID :
11724883
Rotatable bond count :
3
Rule of five :
0
Hydrogen bond acceptor count :
5
Ionization potential :
9.055090
Hydrogen bond donor count :
0
Electric dipole moment :
2.033
XLogP :
1.484
VDW volume :
324.489231
Molecular weight :
341.162708
HOMO-LUMO gap :
8.418000
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'
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