3beta,13alpha-Dihydroxylupanine

AlkaPlorer ID: AK014455

Synonym: ''

IUPAC Name: (1R,2R,5S,9R,10S,12S)-5,12-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

Structure

SMILES: O=C1[C@@H](O)CC[C@@H]2[C@@H]3C[C@H](CN12)[C@@H]1C[C@@H](O)CCN1C3

copy

InChI: InChI=1S/C15H24N2O3/c18-11-3-4-16-7-9-5-10(13(16)6-11)8-17-12(9)1-2-14(19)15(17)20/h9-14,18-19H,1-8H2/t9-,10-,11+,12-,13+,14+/m1/s1

copy

InChIKey: XQOAPEVXJVZPHW-PRFQISJJSA-N

copy

Properties Information

Molecule Weight: 280.368

TPSA: 64.00999999999999

MolLogP: -0.1866999999999998

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information