(1R,16R,17S,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2(10),3,8,14-tetraene-16,17,18-triol

AlkaPlorer ID: AK319822

Synonym: None

IUPAC Name: (1S,16R,17R,18S,19R)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,14-tetraene-16,17,18-triol

Structure

SMILES: O[C@@H]1[C@@H](O)[C@H](O)C2=CCN3CC4=CC5=C(C=C4[C@H]1[C@H]23)OCO5

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InChI: InChI=1S/C16H17NO5/c18-14-8-1-2-17-5-7-3-10-11(22-6-21-10)4-9(7)12(13(8)17)15(19)16(14)20/h1,3-4,12-16,18-20H,2,5-6H2/t12-,13-,14+,15-,16-/m0/s1

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InChIKey: SXEDJFYAYSRCIC-QMHWVQJVSA-N

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Properties Information

Molecule Weight: 303.314

TPSA: 82.39

MolLogP: -0.2806000000000006

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information