Methyldihydrowarifteine

AlkaPlorer ID: AK007503

Synonym: 'O-Methyldihydrowarifteine'

IUPAC Name: (1S,16R)-9,10,25-trimethoxy-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-dodecaen-32-ol

Structure

SMILES: COC1=CC2=C3C(O)=C1OCC1=CC=C(C=C1)C[C@@H]1C4=C(C=C(OC)C(OC)=C4OC4=CC=C(C=C4)C[C@@H]3NCC2)CCN1C

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InChI: InChI=1S/C37H40N2O6/c1-39-16-14-26-20-31(42-3)36(43-4)37-33(26)29(39)18-23-5-7-24(8-6-23)21-44-35-30(41-2)19-25-13-15-38-28(32(25)34(35)40)17-22-9-11-27(45-37)12-10-22/h5-12,19-20,28-29,38,40H,13-18,21H2,1-4H3/t28-,29+/m0/s1

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InChIKey: PVSDYCVQVOYORK-URLMMPGGSA-N

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Source

Properties Information

Molecule Weight: 608.735

TPSA: 81.65

MolLogP: 6.303900000000008

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information