7-deoxyechinosporin

AlkaPlorer ID: AK018397

Synonym: None

IUPAC Name: (1S,4R,7S,8S)-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide

Structure

SMILES: N=C(O)C1=C[C@H]2[C@@H]3C=C[C@H]2C(=O)O[C@@H]3O1

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InChI: InChI=1S/C10H9NO4/c11-8(12)7-3-6-4-1-2-5(6)10(14-7)15-9(4)13/h1-6,10H,(H2,11,12)/t4-,5+,6-,10+/m1/s1

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InChIKey: NBVNAFAEYGKTPJ-GKVYFZHNSA-N

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Properties Information

Molecule Weight: 207.185

TPSA: 79.61

MolLogP: 0.7370699999999999

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information