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Compound: 5546
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Papaverrubine F
ScientificNameLabel
Papaverrubine F
PHCD compound ID :
3589
Chemical Names :
Papaverrubine F
Molecular Formula :
C21H23N1O6
Molecular Weight :
385.152537
More Details :
Names & Synonyms:
Smiles:
CO[C@H]1O[C@@H]2c3cc(OC)c(cc3CCN[C@@H]2c2c1c1OCOc1cc2)OC
InChi :
InChI=1S/C21H23NO6/c1-23-15-8-11-6-7-22-18-12-4-5-14-20(27-10-26-14)17(12)21(25-3)28-19(18)13(11)9-16(15)24-2/h4-5,8-9,18-19,21-22H,6-7,10H2,1-3H3/t18-,19-,21+/m1/s1
InChi Key :
InChIKey=JEUAVYPZVKRQOZ-SBHAEUEKSA-N
PubChem ID :
Rotatable bond count :
3
Rule of five :
0
Hydrogen bond acceptor count :
7
Ionization potential :
8.713414
Hydrogen bond donor count :
1
Electric dipole moment :
1.593
XLogP :
1.139
VDW volume :
336.109211
Molecular weight :
385.152537
HOMO-LUMO gap :
8.541000
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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