Broussonetine M1

AlkaPlorer ID: AK018703

Synonym: 'Broussonetine M1', '(+)-Broussonetine M1'

IUPAC Name: (2R,3R,4R,5R)-2-[(9R)-9,13-dihydroxytridecyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol

Structure

SMILES: OCCCC[C@H](O)CCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O

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InChI: InChI=1S/C18H37NO5/c20-12-8-7-10-14(22)9-5-3-1-2-4-6-11-15-17(23)18(24)16(13-21)19-15/h14-24H,1-13H2/t14-,15-,16-,17-,18-/m1/s1

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InChIKey: RESBTRYGXXYJTJ-DUQPFJRNSA-N

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Source

Properties Information

Molecule Weight: 347.496

TPSA: 113.18

MolLogP: 0.6851999999999998

Number of H-Donors: 6

Number of H-Acceptors: 6

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information