Pingbeinone

AlkaPlorer ID: AK253292

Synonym: None

IUPAC Name: 1,19-dihydroxy-5,9,22-trimethyl-3-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosan-16-one

Structure

SMILES: CC1CCC2C(C)C3CCC4C5CC(=O)C6CC(O)CCC6(C)C5CC4(O)C3N2C1

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InChI: InChI=1S/C26H41NO3/c1-14-4-7-22-15(2)17-5-6-19-18-11-23(29)20-10-16(28)8-9-25(20,3)21(18)12-26(19,30)24(17)27(22)13-14/h14-22,24,28,30H,4-13H2,1-3H3

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InChIKey: JUBZTVTUAIFINI-UHFFFAOYSA-N

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Reference

PubChem CID: 14447667

COCONUT: CNP0327300

Properties Information

Molecule Weight: 415.6180000000002

TPSA: 60.77

MolLogP: 3.638700000000002

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information