pancratinine B

AlkaPlorer ID: AK163008

Synonym: '(+)-Pancratinine B', 'Pancratinine B'

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

Structure

SMILES: CO[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/C17H19NO4/c1-20-11-2-3-17(19)13-8-18(16(17)5-11)7-10-4-14-15(6-12(10)13)22-9-21-14/h2-4,6,11,13,16,19H,5,7-9H2,1H3/t11-,13+,16+,17-/m1/s1

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InChIKey: DWVHPQZXYGNMNK-NYUZSIGZSA-N

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Source

Properties Information

Molecule Weight: 301.34200000000004

TPSA: 51.16000000000001

MolLogP: 1.4026999999999996

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information