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ScientificNameLabel
Catechol
PHCD compound ID : 1150
Chemical Names :
Pyrocatecho , Catechol , 1,2-Benzenediol
Molecular Formula : C6H6O2
Molecular Weight : 110.036779
More Details :
Names & Synonyms: benzene-1,2-diol , pyrocatechol
Smiles: Oc1ccccc1O
InChi : InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChi Key : InChIKey=YCIMNLLNPGFGHC-UHFFFAOYSA-N
PubChem ID : 289
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.940146
Hydrogen bond donor count : 2 Electric dipole moment : 2.260
XLogP : 1.083 VDW volume : 98.746985
Molecular weight : 110.036779 HOMO-LUMO gap : 8.902000
Herb list :
Refrences & Litretures:
  
119.      Journal:'World Appl. Sci. J'      Year:'2011'      Volume:'17'      Page:'67'      DOI:''      Title:'GC-MS Analysis of Various Extracts from Leaf of Plantago major Used as Traditional Medicine'
120.      Journal:'Int. J. Biodvers. Conserv'      Year:'2011'      Volume:'3'      Page:'83'      DOI:''      Title:'Biochemical studies on Plantago major L. and Cyamopsis tetragonoloba L'
148.      Journal:'Crop Protection'      Year:'2002'      Volume:'21'      Page:'913'      DOI:''      Title:'Screening of allelochemicals on barnyardgrass (Echinochloa crus-galli) and identi?cation of potentially allelopathic compounds from rice (Oryza sativa) variety hull extracts'
183.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'543'      DOI:'10.1080/0972060X.2011.10643971'      Title:'Chemical Compositions of Salix aegyptiaca. L. Obtained by Simultaneous Hydrodistilation and Extraction'
185.      Journal:'Nutrition and Cancer'      Year:'2013'      Volume:'65'      Page:'1045'      DOI:'10.1080/01635581.2013.850966'      Title:'Anticarcinogenic Effects of the Ethanolic Extract of Salix aegyptiaca in Colon Cancer Cells: Involvement of Akt/PKB and MAPK Pathways'
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'
656.      Journal:'Int. J. LifeSc. Bt & Pharm. Res'      Year:'2012'      Volume:'1'      Page:'164'      DOI:''      Title:'ANTIBACTERIAL ACTIVITY OF PUNICA GRANATUM PEEL EXTRACTS AGAINST SHIGA TOXIN PRODUCING E. COLI'
858.      Journal:'Indo Am. J. P. Sci'      Year:'2019'      Volume:'6'      Page:'4138'      DOI:''      Title:'CHEMICAL COMPOSITION OF ILLICIUM VERUM (STAR ANISE) FRUIT'
890.      Journal:'Chemistry of Natural Compounds'      Year:'2011'      Volume:'47'      Page:'126'      DOI:'10.1007/s10600-011-9854-z'      Title:'GC-MS analysis of chemical composition of Sambucus ebulus leaves'
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