Brunsvigine

AlkaPlorer ID: AK000279

Synonym: '', 'Brunsvigine', 'pancracine', '(-)-Hippagine', 'Pancracine'

IUPAC Name: (1S,13R,15S,16S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraene-15,16-diol

Structure

SMILES: O[C@H]1C=C2[C@H]3CN(CC4=CC5=C(C=C43)OCO5)[C@@H]2C[C@@H]1O

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InChI: InChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2/t11-,12+,13-,14-/m0/s1

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InChIKey: JKZMYBLUKAMPKM-CRWXNKLISA-N

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Source

Properties Information

Molecule Weight: 287.315

TPSA: 62.16000000000001

MolLogP: 0.7486000000000002

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information