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ScientificNameLabel
scopoletin
PHCD compound ID : 2008
Chemical Names :
scopoletin
Molecular Formula : C10H8O4
Molecular Weight : 192.042259
More Details :
Names & Synonyms: 7-hydroxy-6-methoxy-chromen-2-one , 7-hydroxy-6-methoxy-1-benzopyran-2-one , 7-hydroxy-6-methoxychromen-2-one , 6-methoxy-7-oxidanyl-chromen-2-one , scopoletin
Smiles: COc1cc2ccc(=O)oc2cc1O
InChi : InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
InChi Key : InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N
PubChem ID : 5280460
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.237653
Hydrogen bond donor count : 1 Electric dipole moment : 6.397
XLogP : 0.97 VDW volume : 167.882001
Molecular weight : 192.042259 HOMO-LUMO gap : 8.071000
Herb list :
Refrences & Litretures:
  
239.      Journal:'J. Agric. Food Chem'      Year:'2011'      Volume:'59'      Page:'11367'      DOI:'10.1021/jf202277w'      Title:'Artemisia dracunculus L. (Tarragon): A Critical Review of Its Traditional Use, Chemical Composition, Pharmacology, and Safety'
268.      Journal:'Allelopathy Journal'      Year:'2009'      Volume:'24'      Page:'225'      DOI:''      Title:'Allelopathic Plants. 19. Barley (Hordeum vulgare L)'
289.      Journal:'International Journal of Pharmaceutical Sciences and Drug Research'      Year:'2010'      Volume:'2'      Page:'91'      DOI:''      Title:'Lawsonia inermis Linnaeus: A Phytopharmacological Review'
309.      Journal:'BioMed Research International'      Year:'2015'      Volume:''      Page:'925631'      DOI:'10.1155/2015/925631'      Title:'Portulaca oleracea L.: A Review of Phytochemistry and Pharmacological Effects'
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