speranskilatine A

AlkaPlorer ID: AK151527

Synonym: 'Speranskilatine A', '(+)-Speranskilatine A'

IUPAC Name: (3R)-3-hydroxy-4-methoxy-5-(4-methoxy-1-methyl-2,5-dioxopyrrol-3-yl)-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione

Structure

SMILES: COC1=C(C2=C(OC)[C@](O)(CC(C)=O)C(=O)N(C)C2=O)C(=O)N(C)C1=O

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InChI: InChI=1S/C16H18N2O8/c1-7(19)6-16(24)11(26-5)9(13(21)18(3)15(16)23)8-10(25-4)14(22)17(2)12(8)20/h24H,6H2,1-5H3/t16-/m1/s1

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InChIKey: HBEBAZSIVFJMBQ-MRXNPFEDSA-N

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Source

Properties Information

Molecule Weight: 366.32600000000014

TPSA: 130.51999999999998

MolLogP: -1.5051999999999988

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information