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ScientificNameLabel
Acora-3,7(11)-dien-8-one
PHCD compound ID : 499
Chemical Names :
Acora-3,7(11)-dien-8-one
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms:
Smiles: CC1=CC[C@]2(CC1)[C@H](C)C(=O)CC2=C(C)C
InChi : InChI=1S/C15H22O/c1-10(2)13-9-14(16)12(4)15(13)7-5-11(3)6-8-15/h5,12H,6-9H2,1-4H3/t12-,15+/m1/s1
InChi Key : InChIKey=FLUVIUMJHIYVSN-DOMZBBRYSA-N
PubChem ID :
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.237412
Hydrogen bond donor count : 0 Electric dipole moment : 3.662
XLogP : 2.839 VDW volume : 244.164161
Molecular weight : 218.167065 HOMO-LUMO gap : 10.276000
Herb list :
Refrences & Litretures:
  
30.      Journal:'Phytochemistry'      Year:'2005'      Volume:'66'      Page:'507'      DOI:'10.1016/j.phytochem.2005.01.007'      Title:'Identi?cation of an EcoRI restriction site for a rapid and precise determination of ?-asarone-free Acorus calamus cytotypes'
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