Haemanthidine

AlkaPlorer ID: AK004544

Synonym: 'Pancratine', '', '6-Hydroxycrinamine', 'Hemanthidine', 'Haemanthidine'

IUPAC Name: (1S,11S,13S,15S,18S)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol

Structure

SMILES: CO[C@@H]1C=C[C@@]23C4=CC5=C(C=C4[C@H](O)N(C[C@H]2O)[C@H]3C1)OCO5

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InChI: InChI=1S/C17H19NO5/c1-21-9-2-3-17-11-6-13-12(22-8-23-13)5-10(11)16(20)18(7-15(17)19)14(17)4-9/h2-3,5-6,9,14-16,19-20H,4,7-8H2,1H3/t9-,14+,15-,16+,17+/m1/s1

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InChIKey: ZSTPNQLNQBRLQF-GKSQQYPGSA-N

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Properties Information

Molecule Weight: 317.3410000000001

TPSA: 71.39000000000001

MolLogP: 0.6775999999999998

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information