Sphaerialactonam

AlkaPlorer ID: AK151517

Synonym: None

IUPAC Name: (5R)-5-acetyl-1-[[(4S)-6,8-dihydroxy-4-methyl-3-methylidene-1-oxo-4H-isochromen-5-yl]methyl]pyrrolidin-2-one

Structure

SMILES: C=C1OC(=O)C2=C(O)C=C(O)C(CN3C(=O)CC[C@@H]3C(C)=O)=C2[C@@H]1C

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InChI: InChI=1S/C18H19NO6/c1-8-10(3)25-18(24)17-14(22)6-13(21)11(16(8)17)7-19-12(9(2)20)4-5-15(19)23/h6,8,12,21-22H,3-5,7H2,1-2H3/t8-,12-/m1/s1

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InChIKey: IDUXYDXYBIDYKD-PRHODGIISA-N

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Properties Information

Molecule Weight: 345.35100000000006

TPSA: 104.14

MolLogP: 1.9654

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information