Sophorasine B

AlkaPlorer ID: AK098346

Synonym: '', 'Sophorasine A'

IUPAC Name: (1S,9R)-11-[(3R)-3-hydroxy-2-oxobutyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Structure

SMILES: C[C@@H](O)C(=O)CN1C[C@H]2C[C@@H](C1)C1=CC=CC(=O)N1C2

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InChI: InChI=1S/C15H20N2O3/c1-10(18)14(19)9-16-6-11-5-12(8-16)13-3-2-4-15(20)17(13)7-11/h2-4,10-12,18H,5-9H2,1H3/t10-,11-,12+/m1/s1

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InChIKey: TYNIDTXHMHOCQE-UTUOFQBUSA-N

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Properties Information

Molecule Weight: 276.336

TPSA: 62.54

MolLogP: 0.2172999999999998

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information