13-Hydroxylupanine; O-(3-Hydroxy-5-octenoyl)(Z-) 

AlkaPlorer ID: AK301349

Synonym: Cineroctine

IUPAC Name: None

Structure

SMILES: CC/C=C/C(O)CCC(=O)OC1CCN2CC3CC(CN4C(=O)CCCC34)C2C1

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InChI: InChI=1S/C23H36N2O4/c1-2-3-5-18(26)8-9-23(28)29-19-10-11-24-14-16-12-17(21(24)13-19)15-25-20(16)6-4-7-22(25)27/h3,5,16-21,26H,2,4,6-15H2,1H3/b5-3+

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InChIKey: AQCWJRVLOUWVBB-HWKANZROSA-N

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Reference

CAS: 155454-00-5

Properties Information

Molecule Weight: 404.5510000000002

TPSA: 70.08000000000001

MolLogP: 2.5007

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information