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ScientificNameLabel
Cadinol
PHCD compound ID : 4534
Chemical Names :
Cadinol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (1R,4S)-4-isopropyl-1,6-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol , (1R,4S)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
Smiles: CC1=C[C@@H]2[C@H](CC1)[C@](C)(O)CC[C@H]2C(C)C
InChi : InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15+/m0/s1
InChi Key : InChIKey=LHYHMMRYTDARSZ-ZQDZILKHSA-N
PubChem ID : 6428423
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.226448
Hydrogen bond donor count : 1 Electric dipole moment : 2.030
XLogP : 4.476 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.553000
Herb list :
Refrences & Litretures:
  
677.      Journal:'J Sci Food Agric'      Year:'2013'      Volume:'93'      Page:'2707'      DOI:'10.1002/jsfa.6089'      Title:'Chemical composition and bioactivity of different oregano (Origanum vulgare) extracts and essential oil'
795.      Journal:'FARMACIA'      Year:'2010'      Volume:'58'      Page:'594'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE VOLATILE OIL FROM DIFFERENT PLANT PARTS OF ANETHUM GRAVEOLENS L. (UMBELLIFERAE) CULTIVATED IN ROMANIA'
803.      Journal:'Acta Sci. Pol. Hortorum Cultus'      Year:'2016'      Volume:'15'      Page:'147'      DOI:''      Title:'The chemical composition of the essential oil of leaf celery (Apium graveolens L. var. Secalinum Alef.) under the plants’ irrigation and harvesting method'
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