7-Angelylhastanecine

AlkaPlorer ID: AK005861

Synonym: '', '7-Angeloylplatynecine', '7-O-angeloyl-turneforcidine', '7-O-angeloyl-dihydroxyheliotridane', '(+)-7-O-Angeloylturneforcidine', '7-Angelylplatynecine', '7-Angeloylturneforcidine'

IUPAC Name: [(1R,7R,8R)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl] (Z)-2-methylbut-2-enoate

Structure

SMILES: C/C=C(/C)C(=O)O[C@@H]1CCN2CC[C@@H](CO)[C@H]12

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InChI: InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11+,12+/m0/s1

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InChIKey: JVBOUYIVPAHNGB-FZJWOPFUSA-N

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Source

Properties Information

Molecule Weight: 239.315

TPSA: 49.77

MolLogP: 0.9509

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information