Similin B

AlkaPlorer ID: AK318521

Synonym: None

IUPAC Name: (2S,6Z)-6-(aminomethylidene)-5-[(2R)-butan-2-yl]-2-ethyl-4-methoxy-2-methylcyclohex-4-ene-1,3-dione

Structure

SMILES: CC[C@@H](C)C1=C(OC)C(=O)[C@@](C)(CC)C(=O)/C1=C\N

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InChI: InChI=1S/C15H23NO3/c1-6-9(3)11-10(8-16)13(17)15(4,7-2)14(18)12(11)19-5/h8-9H,6-7,16H2,1-5H3/b10-8-/t9-,15+/m1/s1

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InChIKey: UYAKMJUNAXPYTG-OUEHEYQUSA-N

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Properties Information

Molecule Weight: 265.35299999999995

TPSA: 69.39

MolLogP: 2.3437

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information