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ScientificNameLabel
deoxyalkannin
PHCD compound ID : 5532
Chemical Names :
deoxyalkannin , deoxyshikonin (arnebin-7)
Molecular Formula : C16H16O4
Molecular Weight : 272.104859
More Details :
Names & Synonyms: 5,8-dihydroxy-2-(4-methylpent-3-enyl)naphthalene-1,4-dione , 2-(4-methylpent-3-enyl)-5,8-bis(oxidanyl)naphthalene-1,4-dione , 5,8-dihydroxy-2-(4-methylpent-3-enyl)-1,4-naphthoquinone
Smiles: CC(=CCCC1=CC(=O)c2c(C1=O)c(O)ccc2O)C
InChi : InChI=1S/C16H16O4/c1-9(2)4-3-5-10-8-13(19)14-11(17)6-7-12(18)15(14)16(10)20/h4,6-8,17-18H,3,5H2,1-2H3
InChi Key : InChIKey=VOMDIEGPEURZJO-UHFFFAOYSA-N
PubChem ID : 98914
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.191351
Hydrogen bond donor count : 2 Electric dipole moment : 1.746
XLogP : 1.911 VDW volume : 266.384991
Molecular weight : 272.104859 HOMO-LUMO gap : 7.204000
Herb list :
Refrences & Litretures:
  
934.      Journal:'Molecules'      Year:'2012'      Volume:'17'      Page:'14310'      DOI:'10.3390/molecules171214310'      Title:'Antimicrobial and Cytotoxic Isohexenylnaphthazarins from Arnebia euchroma (Royle) Jonst. (Boraginaceae) Callus and Cell Suspension Culture'
935.      Journal:'Med Glas (Zenica)'      Year:'2018'      Volume:'15'      Page:'1'      DOI:'10.17392/926-18'      Title:'The traditional medicine aspects, biological activity and phytochemistry of Arnebia spp'
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