Stephalagine

AlkaPlorer ID: AK109890

Synonym: ''

IUPAC Name: (12R)-7-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene

Structure

SMILES: COC1=C2CCN(C)[C@@H]3CC4=CC=CC=C4C(=C23)C2=C1OCO2

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InChI: InChI=1S/C19H19NO3/c1-20-8-7-13-15-14(20)9-11-5-3-4-6-12(11)16(15)18-19(17(13)21-2)23-10-22-18/h3-6,14H,7-10H2,1-2H3/t14-/m1/s1

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InChIKey: NFEXDKYJEYMIMF-CQSZACIVSA-N

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Source

Properties Information

Molecule Weight: 309.36500000000007

TPSA: 30.930000000000003

MolLogP: 3.176000000000002

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