Cladosin C (major tautomer)

AlkaPlorer ID: AK047827

Synonym: None

IUPAC Name: 4-hydroxy-3-[(E,5S)-5-hydroxyhex-2-enimidoyl]-5-propan-2-ylidenepyrrol-2-one

Structure

SMILES: CC(C)=C1N=C(O)C(C(=N)/C=C/C[C@H](C)O)=C1O

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InChI: InChI=1S/C13H18N2O3/c1-7(2)11-12(17)10(13(18)15-11)9(14)6-4-5-8(3)16/h4,6,8,14,16-17H,5H2,1-3H3,(H,15,18)/b6-4+,14-9?/t8-/m0/s1

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InChIKey: NRYAZWLSPQPXOQ-KWXKUKOQSA-N

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Properties Information

Molecule Weight: 250.298

TPSA: 96.9

MolLogP: 2.4093700000000005

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information