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ScientificNameLabel
Cadin-4-en-10-ol
PHCD compound ID : 5448
Chemical Names :
Cadin-4-en-10-ol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: 4-isopropyl-1,6-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol , 1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol , 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 : 519662
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.144019
Hydrogen bond donor count : 1 Electric dipole moment : 2.152
XLogP : 4.476 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.537000
Herb list :
Refrences & Litretures:
  
907.      Journal:'Chem. Biodiversity'      Year:'2017'      Volume:'14'      Page:'e1700096'      DOI:'10.1002/cbdv.201700096'      Title:'Cytotoxic Essential Oils from Eryngium campestre and Eryngium amethystinum (Apiaceae) Growing in Central Italy'
918.      Journal:'Biocatalysis and Agricultural Biotechnology'      Year:'2019'      Volume:'19'      Page:'101144'      DOI:'10.1016/j.bcab.2019.101144'      Title:'Chemical composition and yield of essential oil from lemon balm (Melissa o?cinalis L.) under foliar applications of jasmonic and salicylic acids'
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