Thalfine

AlkaPlorer ID: AK035941

Synonym: ''

IUPAC Name: (25S)-8,17,18,30-tetramethoxy-24-methyl-10,12,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.13,7.127,31.09,13.016,21.020,25.014,39]nonatriaconta-1(35),3,5,7(39),8,13,16(21),17,19,27(38),28,30,33,36-tetradecaene

Structure

SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)CC1=C3C(=C4OCOC4=C(OC)C3=CC=N1)OC1=C(OC)C(OC)=CC3=C1CCN(C)[C@H]3C2

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InChI: InChI=1S/C38H36N2O8/c1-40-15-13-24-26-19-31(42-3)35(44-5)34(24)48-36-32-25(33(43-4)37-38(36)46-20-45-37)12-14-39-27(32)16-21-6-9-23(10-7-21)47-30-18-22(17-28(26)40)8-11-29(30)41-2/h6-12,14,18-19,28H,13,15-17,20H2,1-5H3/t28-/m0/s1

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InChIKey: OSOKLEWJPLGVBW-NDEPHWFRSA-N

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Source

Properties Information

Molecule Weight: 648.712

TPSA: 89.97000000000001

MolLogP: 7.258400000000006

Number of H-Donors: 0

Number of H-Acceptors: 10

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information