Common name
santonin
Formula
C15H18O3
CAS
481-06-1
IUPAC name
(3S,3aS,5aS,9bS)-3a,5,5a,9b-tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione
SMILES
C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(=C3[C@H]2OC1=O)C
INCHI
InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1
Physicochemical Properties
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Lipophilicity
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Geometric
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Electrostatic
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Flexibility
Num. Rot. bonds: 0
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Fungicide-likeness scores
The higher the score, the better the fungicide-likeness
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