13-Angeloyloxylupanine

AlkaPlorer ID: AK000460

Synonym: None

IUPAC Name: [(2S,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl] (Z)-2-methylbut-2-enoate

Structure

SMILES: C/C=C(/C)\C(=O)OC1C2CC(CN3[C@@H]2CCCC3=O)[C@H]4N1CCCC4

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InChI: InChI=1S/C20H30N2O3/c1-3-13(2)20(24)25-19-15-11-14(16-7-4-5-10-21(16)19)12-22-17(15)8-6-9-18(22)23/h3,14-17,19H,4-12H2,1-2H3/b13-3-/t14?,15?,16-,17+,19?/m0/s1

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InChIKey: ZCUSRGNNIWPAKJ-QTEIMWBUSA-N

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Properties Information

Molecule Weight: 346.4710000000001

TPSA: 49.85

MolLogP: 2.707200000000001

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information