Warifteine; 1ξ,2-Dihydro

AlkaPlorer ID: AK317860

Synonym: Dihydrowarifteine

IUPAC Name: 10,25-dimethoxy-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-9,32-diol

Structure

SMILES: COC1=CC2=C3C(=C1O)OC1=CC=C(C=C1)CC1NCCC4=C1C(O)=C(OCC1=CC=C(C=C1)CC3N(C)CC2)C(OC)=C4

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InChI: InChI=1S/C36H38N2O6/c1-38-15-13-25-18-29(41-2)33(39)36-32(25)28(38)17-22-4-6-23(7-5-22)20-43-35-30(42-3)19-24-12-14-37-27(31(24)34(35)40)16-21-8-10-26(44-36)11-9-21/h4-11,18-19,27-28,37,39-40H,12-17,20H2,1-3H3

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InChIKey: JRIVSHMTWMYONF-UHFFFAOYSA-N

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Reference

PubChem CID: 162935878

CAS: 30996-85-1

COCONUT: CNP0205972.1

Source

Properties Information

Molecule Weight: 594.7080000000002

TPSA: 92.65

MolLogP: 6.000900000000006

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information