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ScientificNameLabel
acetylalkannin
PHCD compound ID : 5534
Chemical Names :
acetylalkannin , acetylshikonin , Acetylalkannin (arnebin-3)
Molecular Formula : C18H18O6
Molecular Weight : 330.110338
More Details :
Names & Synonyms: [1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] acetate , acetic acid [1-(5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methylpent-3-enyl] ester , [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate , [1-[5,8-bis(oxidanyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]-4-methyl-pent-3-enyl] ethanoate , acetic acid [1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester
Smiles: CC(=O)O[C@@H](C1=CC(=O)c2c(C1=O)c(O)ccc2O)CC=C(C)C
InChi : InChI=1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3/t15-/m1/s1
InChi Key : InChIKey=WNFXUXZJJKTDOZ-OAHLLOKOSA-N
PubChem ID : 32464
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 9.155729
Hydrogen bond donor count : 2 Electric dipole moment : 2.777
XLogP : 1.465 VDW volume : 315.920955
Molecular weight : 330.110338 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'
938.      Journal:'Phcog Mag'      Year:'2019'      Volume:'15'      Page:'S366'      DOI:'10.4103/pm.pm_115_19'      Title:'Naphthazarins as Cytotoxic Agents isolated from Arnebia euchroma'
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