Stephaphylline

AlkaPlorer ID: AK204871

Synonym: '', 'Runanine', '(-)-Runanine'

IUPAC Name: (1S,10S)-4,5,11,12-tetramethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one

Structure

SMILES: COC1=C(OC)[C@]23CCC4=CC(OC)=C(OC)C=C4[C@]2(CCN3C)CC1=O

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InChI: InChI=1S/C21H27NO5/c1-22-9-8-20-12-15(23)18(26-4)19(27-5)21(20,22)7-6-13-10-16(24-2)17(25-3)11-14(13)20/h10-11H,6-9,12H2,1-5H3/t20-,21+/m0/s1

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InChIKey: FFKKIUDOINNTGR-LEWJYISDSA-N

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Source

Properties Information

Molecule Weight: 373.4490000000002

TPSA: 57.23

MolLogP: 2.4393

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information