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ScientificNameLabel
Delta-Cadinol
PHCD compound ID : 1593
Chemical Names :
Delta-Cadinol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (1S,4S)-4-isopropyl-1,6-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol , (1S,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-AJNGGQMLSA-N
PubChem ID : 6432221
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.145258
Hydrogen bond donor count : 1 Electric dipole moment : 2.157
XLogP : 4.476 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.537000
Herb list :
Refrences & Litretures:
  
176.      Journal:'Natural Product Research'      Year:'2012'      Volume:'26'      Page:'109'      DOI:'10.1080/14786419.2010.534998'      Title:'Volatile constituents and antioxidant activity of flowers, stems and leaves of Nasturtium officinale R. Br'
181.      Journal:'Flavour Fragr. J'      Year:'2002'      Volume:'17'      Page:'165'      DOI:'10.1002/ffj.1074'      Title:'Essential oil composition of Achillea millefolium L. growing wild in Kashmir, India'
496.      Journal:'Flavour Fragr. J'      Year:'2001'      Volume:'16'      Page:'195'      DOI:'10.1002/ffj.977'      Title:'Composition of the essential oils of Tanacetum armenum (DC.) Schultz Bip., T. balsamita L., T. chiliophyllum (Fisch. & Mey.) Schultz Bip. var. chiliophyllum and T. haradjani (Rech. ?l.) Grierson and the enantiomeric distribution of camphor and carvone'
539.      Journal:'J. Med. Plants Res'      Year:'2013'      Volume:'7'      Page:'2349'      DOI:'10.5897/JMPR2013.4493'      Title:'Correlation between chemical profiles of black pepper (Piper nigrum L.) var. Panniyur-1 collected from different locations'
576.      Journal:'Food Chemistry'      Year:'2011'      Volume:'129'      Page:'1305'      DOI:'10.1016/j.foodchem.2011.05.083'      Title:'Identi?cation of ambiguous cubeb fruit by DART-MS-based ?ngerprinting combined with principal component analysis'
792.      Journal:'Food Sci. Technol. Res'      Year:'7'      Volume:'303'      Page:'2001'      DOI:'10.3136/fstr.7.303'      Title:'Volatile Components of the Essential Oils in Galanga (Alpinia of?cinarum Hance) from Vietnam'
865.      Journal:'J. Agric. Food Chem'      Year:'2005'      Volume:'53'      Page:'2630'      DOI:'10.1021/jf048244g'      Title:'Chemical Composition of Juniperus communis L. Fruits Supercritical CO2 Extracts: Dependence on Pressure and Extraction Time'
883.      Journal:'Pharmaceutical Biology'      Year:'2004'      Volume:'42'      Page:'360'      DOI:'10.1080/13880200490519677'      Title:'Chemical Composition of Essential Oils from Leaves and Twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey'
884.      Journal:'Fitoterapia'      Year:'2003'      Volume:'74'      Page:'170'      DOI:'10.1016/S0367-326X(02)00318-0'      Title:'Chemical composition and antifungal properties of essential oils of three Pistacia species'
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