Skip Navigation Links
ScientificNameLabel
teracrylalkannin
PHCD compound ID : 5539
Chemical Names :
teracrylalkannin
Molecular Formula : C23H26O6
Molecular Weight : 398.172939
More Details :
Names & Synonyms:
Smiles: O=C(O[C@H](C1=CC(=O)c2c(C1=O)c(O)ccc2O)CC=C(C)C)CC(=C(C)C)C
InChi : InChI=1S/C23H26O6/c1-12(2)6-9-19(29-20(27)10-14(5)13(3)4)15-11-18(26)21-16(24)7-8-17(25)22(21)23(15)28/h6-8,11,19,24-25H,9-10H2,1-5H3/t19-/m0/s1
InChi Key : InChIKey=OHRCEQTZXISPOL-IBGZPJMESA-N
PubChem ID :
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 9.122529
Hydrogen bond donor count : 2 Electric dipole moment : 2.679
XLogP : 2.758 VDW volume : 399.76442
Molecular weight : 398.172939 HOMO-LUMO gap : 7.207000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us