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ScientificNameLabel
Bisabolol oxide
PHCD compound ID : 152
Chemical Names :
Alpha-bisabolol oxide , Bisabolone oxide , Bisabolol oxide A , Bisabolol oxide , Bisabolon oxide
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: (3S,6S)-2,2,6-trimethyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]tetrahydropyran-3-ol , (3S,6S)-2,2,6-trimethyl-6-[(1S)-4-methyl-1-cyclohex-3-enyl]-3-oxanol , (3S,6S)-2,2,6-trimethyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]oxan-3-ol
Smiles: CC1=CC[C@H](CC1)[C@]1(C)CC[C@@H](C(O1)(C)C)O
InChi : InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3/t12-,13+,15+/m1/s1
InChi Key : InChIKey=WJHRAVIQWFQMKF-IPYPFGDCSA-N
PubChem ID : 13092559
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.042791
Hydrogen bond donor count : 1 Electric dipole moment : 1.783
XLogP : 3.176 VDW volume : 258.227305
Molecular weight : 238.19328 HOMO-LUMO gap : 10.569000
Herb list :
Refrences & Litretures:
  
8.      Journal:'Rev Bras Farmacogn'      Year:'2013'      Volume:'23'      Page:'877'      DOI:''      Title:'Chemical composition, antischistosomal and cytotoxic effects of the essential oil of Lavandula angustifolia grown in Southeastern Brazil'
96.      Journal:'Industrial Crops and Products'      Year:'2011'      Volume:'34'      Page:'1482'      DOI:'10.1016/j.indcrop.2011.05.005'      Title:'Sesquiterpenic composition of the in?orescences of Brazilian chamomile (Matricaria recutita L.): Impact of the agricultural practices'
101.      Journal:'Bull. Env. Pharmacol. Life Sci'      Year:'2014'      Volume:'3'      Page:'148'      DOI:''      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Matricaria chamomilla'
261.      Journal:'Herba Polonica'      Year:'2009'      Volume:'55'      Page:'153'      DOI:''      Title:'Contents and chemical composition of essential oils from wild strawberry (Fragaria vesca L.)'
497.      Journal:'World Appl. Sci. J'      Year:'2014'      Volume:'29'      Page:'171'      DOI:'10.5829/idosi.wasj.2014.29.02.1240'      Title:'Chemical Composition of the Essential Oil from Melilotus officinalis (L.) Pall'
932.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'91'      DOI:'10.1007/s10600-009-9244-y'      Title:'Composition of essential oils of Viola tricolor and V. arvensis from Romania'
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