Cladosin B; 8-Deoxy, 7,8-didehydro(Z-)
AlkaPlorer ID: AK292611
Synonym: Cladosin D
IUPAC Name: 4-hydroxy-3-[(E)-5-hydroxyhex-2-enimidoyl]-5-propan-2-ylidenepyrrol-2-one
Structure
SMILES: CC(C)=C1NC(=O)/C(=C(N)\C=C\CC(C)O)C1=O
InChI: InChI=1S/C13H18N2O3/c1-7(2)11-12(17)10(13(18)15-11)9(14)6-4-5-8(3)16/h4,6,8,16H,5,14H2,1-3H3,(H,15,18)/b6-4+,10-9+
InChIKey: JJULUJPWMFFHEE-FTDKHJNJSA-N
Reference
Source
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Properties Information
Molecule Weight: 250.298
TPSA？: 92.42000000000002
MolLogP？: 0.5191000000000001
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 1
Activities Information
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