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(-)-1-oxo-4,9-dihydroxy-8-methoxy-6-methyl-1,2,3,4-tetrahydroanthracene
ScientificNameLabel
(-)-1-oxo-4,9-dihydroxy-8-methoxy-6-methyl-1,2,3,4-tetrahydroanthracene
PHCD compound ID :
5559
Chemical Names :
(-)-1-oxo-4,9-dihydroxy-8-methoxy-6-methyl-1,2,3,4-tetrahydroanthracene
Molecular Formula :
C16H16O4
Molecular Weight :
272.104859
More Details :
Names & Synonyms:
Smiles:
COc1cc(C)cc2c1c(O)c1c(c2)[C@H](O)CCC1=O
InChi :
InChI=1S/C16H16O4/c1-8-5-9-7-10-11(17)3-4-12(18)15(10)16(19)14(9)13(6-8)20-2/h5-7,11,17,19H,3-4H2,1-2H3/t11-/m1/s1
InChi Key :
InChIKey=MJYOMLOZJVCNBR-LLVKDONJSA-N
PubChem ID :
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
4
Ionization potential :
8.623816
Hydrogen bond donor count :
2
Electric dipole moment :
4.363
XLogP :
0.896
VDW volume :
245.764991
Molecular weight :
272.104859
HOMO-LUMO gap :
7.866000
Herb list :
- Eremurus persicus - سریش
Refrences & Litretures:
941. Journal:'Molecules' Year:'2017' Volume:'22' Page:'519' DOI:'10.3390/molecules22040519' Title:'(R)-(?)-Aloesaponol III 8-Methyl Ether from Eremurus persicus: A Novel Compound against Leishmaniosis'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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