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Compound: 5546
Plants: 312
References: 992
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2-epi-beta-Funebrene
ScientificNameLabel
2-epi-beta-Funebrene
PHCD compound ID :
3873
Chemical Names :
2-epi-beta-Funebrene
Molecular Formula :
C15H24
Molecular Weight :
204.187801
More Details :
Names & Synonyms:
Smiles:
C=C1CC[C@]23C[C@H]1C(C)(C)[C@@H]2CC[C@@H]3C
InChi :
InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m0/s1
InChi Key :
InChIKey=DYLPEFGBWGEFBB-SFDCQRBFSA-N
PubChem ID :
92178524
Rotatable bond count :
0
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
9.446185
Hydrogen bond donor count :
0
Electric dipole moment :
1.025
XLogP :
6.642
VDW volume :
228.290393
Molecular weight :
204.187801
HOMO-LUMO gap :
10.812000
Herb list :
Carrot - Daucus carota - هویج
St John's wort - Hypericum perforatum - گل راعی، هوفاریقون ، گل شهناز
Refrences & Litretures:
522. Journal:'Maced. J. Chem. Chem. Eng' Year:'2015' Volume:'34' Page:'333' DOI:'' Title:'Essential oil composition of indigenous populations of Hypericum perforatum L. from southern Albania'
525. Journal:'J. Chem. Pharm. Res' Year:'2010' Volume:'2' Page:'284' DOI:'' Title:'Essential oil composition of Hypericum perforatum L. and Hypericum scabrum L. growing wild in Tajikistan'
735. Journal:'J. Mater. Environ. Sci' Year:'2015' Volume:'6' Page:'784' DOI:'' Title:'Chemical composition and antioxidant activity of the essential oil and the methanol extract of Algerian wild carrot Daucus carota L. ssp. carota. (L.) Thell'
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