MW: 418.53
MDL:
TNP: TNP00016
LogP: 4.8
LogS: -4.6
Acceptors: 6
Donors: 3
Rotation Bonds: 10
Chiral Centers: 4
N+O: 6
LIPINSKY: 4
IUPAC: 7-[5-(2,5-dihydroxy-2,6,6-trimethylcyclohexyl)-3-hydroxy-3-methylpentyloxy]chr omen-2-one
Smiles: C1C(O)C(C(CCC(O)(CCOc2cc3c(cc2)ccc(o3)=O)C)C(C1)(C)O)(C)C
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