Dimethyldihydrowarifteine

AlkaPlorer ID: AK114202

Synonym: 'O,O-Dimethyldihydrowarifteine'

IUPAC Name: (1R,16R)-9,10,25,32-tetramethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.218,21.18,12.027,31.016,35]heptatriaconta-3(37),4,6(36),8(35),9,11,18,20,24,26,31,33-dodecaene

Structure

SMILES: COC1=CC2=C3C(=C1OC)OC1=CC=C(C=C1)C[C@H]1NCCC4=CC(OC)=C(OCC5=CC=C(C=C5)C[C@H]3N(C)CC2)C(OC)=C41

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InChI: InChI=1S/C38H42N2O6/c1-40-17-15-27-21-31(41-2)35(43-4)38-34(27)30(40)19-24-6-8-25(9-7-24)22-45-36-32(42-3)20-26-14-16-39-29(33(26)37(36)44-5)18-23-10-12-28(46-38)13-11-23/h6-13,20-21,29-30,39H,14-19,22H2,1-5H3/t29-,30-/m1/s1

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InChIKey: MRSIWGQPOSTXJV-LOYHVIPDSA-N

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Source

Properties Information

Molecule Weight: 622.7620000000001

TPSA: 70.65

MolLogP: 6.606900000000007

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information