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ScientificNameLabel
Osthole
PHCD compound ID : 4297
Chemical Names :
Osthole
Molecular Formula : C15H16O3
Molecular Weight : 244.109944
More Details :
Names & Synonyms: 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one , 7-methoxy-8-(3-methylbut-2-enyl)-1-benzopyran-2-one , 7-methoxy-8-(3-methylbut-2-enyl)coumarin
Smiles: COc1ccc2c(c1CC=C(C)C)oc(=O)cc2
InChi : InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
InChi Key : InChIKey=MBRLOUHOWLUMFF-UHFFFAOYSA-N
PubChem ID : 10228
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.937632
Hydrogen bond donor count : 0 Electric dipole moment : 5.487
XLogP : 2.674 VDW volume : 242.935239
Molecular weight : 244.109944 HOMO-LUMO gap : 8.023000
Herb list :
Refrences & Litretures:
  
620.      Journal:'J Food Sci Technol'      Year:'2015'      Volume:'52'      Page:'2452'      DOI:'10.1007/s13197-014-1286-x'      Title:'Comparison of essential oil composition and antimicrobial activity of Coriandrum sativum L. extracted by hydrodistillation and microwave-assisted hydrodistillation'
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