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Isoplumbagin
ScientificNameLabel
Isoplumbagin
PHCD compound ID :
2510
Chemical Names :
Isoplumbagin
Molecular Formula :
C11H8O3
Molecular Weight :
188.047344
More Details :
Names & Synonyms:
8-hydroxy-2-methyl-naphthalene-1,4-dione , 8-hydroxy-2-methylnaphthalene-1,4-dione , 2-methyl-8-oxidanyl-naphthalene-1,4-dione , 8-hydroxy-2-methyl-1,4-naphthoquinone
Smiles:
O=C1C=C(C)C(=O)c2c1cccc2O
InChi :
InChI=1S/C11H8O3/c1-6-5-9(13)7-3-2-4-8(12)10(7)11(6)14/h2-5,12H,1H3
InChi Key :
InChIKey=ZMOIGGHUSNHCAB-UHFFFAOYSA-N
PubChem ID :
375105
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
3
Ionization potential :
9.678663
Hydrogen bond donor count :
1
Electric dipole moment :
0.525
XLogP :
0.17
VDW volume :
173.7513
Molecular weight :
188.047344
HOMO-LUMO gap :
7.839000
Herb list :
Henna - Lawsonia inermis - حنا
Refrences & Litretures:
289. Journal:'International Journal of Pharmaceutical Sciences and Drug Research' Year:'2010' Volume:'2' Page:'91' DOI:'' Title:'Lawsonia inermis Linnaeus: A Phytopharmacological Review'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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