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Compound: 5546
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References: 992
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Beta-Pinene oxide
ScientificNameLabel
Beta-Pinene oxide
PHCD compound ID :
285
Chemical Names :
Beta-Pinene oxide , Beta-Pinene oxyde
Molecular Formula :
C10H16O1
Molecular Weight :
152.120115
More Details :
Names & Synonyms:
6,6-dimethylspiro[norpinane-2,2'-oxirane] , 6,6-dimethylspiro[bicyclo[3.1.1]heptane-4,2'-oxirane]
Smiles:
CC1(C)[C@H]2CC[C@@]3([C@@H]1C2)CO3
InChi :
InChI=1S/C10H16O/c1-9(2)7-3-4-10(6-11-10)8(9)5-7/h7-8H,3-6H2,1-2H3/t7-,8+,10-/m0/s1
InChi Key :
InChIKey=OUXAABAEPHHZPC-XKSSXDPKSA-N
PubChem ID :
93046
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
10.155040
Hydrogen bond donor count :
0
Electric dipole moment :
1.772
XLogP :
2.642
VDW volume :
153.237156
Molecular weight :
152.120115
HOMO-LUMO gap :
12.532000
Herb list :
Absinthium, Wormwood - Artemisia absinthium - افسنطین
Black cumin, Nutmeg flower, Fennel-flower, Roman coriander - Nigella sativa - سیاه دانه، شونیز
Jerusalem oak - Chenopodium botrys - درمنه ترکی، سلمک اورشلیمی
Lemon verbena, Lippia - Lippia citriodora - به ليمو
Refrences & Litretures:
17. Journal:'Pharm Biol' Year:'2013' Volume:'51' Page:'888' DOI:'10.3109/13880209.2013.768676' Title:'Volatile composition and antimicrobial activity of the essential oil of Artemisia absinthium growing in Western Ghats region of North West Karnataka, India'
168. Journal:'European Journal of Experimental Biology' Year:'2012' Volume:'2' Page:'1771' DOI:'' Title:'Essential oil content and composition of Lippa citriodora as affected by drying method before flowering stages'
456. Journal:'Journal of Essential Oil Bearing Plants' Year:'2013' Volume:'16' Page:'781' DOI:'10.1080/0972060X.2013.813275' Title:'Chemical Composition of the Essential Oil of Nigella sativa Seeds Extracted by Microwave Steam Distillation'
459. Journal:'Flavour Fragr. J' Year:'2007' Volume:'22' Page:'148' DOI:'10.1002/ffj.1773' Title:'Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation'
824. Journal:'Macedonian pharmaceutical bulletin' Year:'2014' Volume:'60' Page:'45' DOI:'' Title:'Chemical composition of Chenopodium botrys L. (Chenopodiaceae) essential oil'
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