Mecambrine

AlkaPlorer ID: AK038545

Synonym: '(-)-Fugapavine', '(-)-Mecambrine', 'Mecambrine'

IUPAC Name: (12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexa-2,5-diene]-1'-one

Structure

SMILES: CN1CCC2=CC3=C(OCO3)C3=C2[C@H]1CC31C=CC(=O)C=C1

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InChI: InChI=1S/C18H17NO3/c1-19-7-4-11-8-14-17(22-10-21-14)16-15(11)13(19)9-18(16)5-2-12(20)3-6-18/h2-3,5-6,8,13H,4,7,9-10H2,1H3/t13-/m1/s1

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InChIKey: NMVDXQMYKKNYFO-CYBMUJFWSA-N

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Properties Information

Molecule Weight: 295.338

TPSA: 38.77

MolLogP: 2.2809

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information