pancratinine C

AlkaPlorer ID: AK163014

Synonym: '(-)-Pancratinine C', 'Pancratinine C'

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

Structure

SMILES: O[C@@H]1C=C[C@]2(O)[C@H](C1)N1CC3=CC4=C(C=C3[C@@H]2C1)OCO4

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InChI: InChI=1S/C16H17NO4/c18-10-1-2-16(19)12-7-17(15(16)4-10)6-9-3-13-14(5-11(9)12)21-8-20-13/h1-3,5,10,12,15,18-19H,4,6-8H2/t10-,12+,15+,16-/m1/s1

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InChIKey: KZMQNHULHMTPCD-WJCKQCIISA-N

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Source

Properties Information

Molecule Weight: 287.31500000000005

TPSA: 62.16000000000001

MolLogP: 0.7485999999999997

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