oxyprotostemonine

AlkaPlorer ID: AK053424

Synonym: 'oxyprotostemonine'

IUPAC Name: 4-methoxy-3-methyl-5-[(1R,6S,8R,9R,10R,11S)-11-methyl-6-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-13,14-dioxa-5-azatetracyclo[6.5.1.01,10.05,9]tetradecan-12-ylidene]furan-2-one

Structure

SMILES: COC1=C(C)C(=O)OC1=C1O[C@]23CCCN4[C@H]([C@H]2[C@@H]1C)[C@@H](C[C@H]4[C@@H]1C[C@H](C)C(=O)O1)O3

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InChI: InChI=1S/C23H29NO7/c1-10-8-14(28-21(10)25)13-9-15-17-16-11(2)19(20-18(27-4)12(3)22(26)29-20)31-23(16,30-15)6-5-7-24(13)17/h10-11,13-17H,5-9H2,1-4H3/t10-,11-,13-,14-,15+,16+,17-,23+/m0/s1

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InChIKey: VWLSPPQJJDUUFR-HRHUPZLGSA-N

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Reference

PubChem CID: 162891912

NPASS: NPC237364

Properties Information

Molecule Weight: 431.4850000000002

TPSA: 83.53000000000002

MolLogP: 2.2411000000000003

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information