Thalidezine

AlkaPlorer ID: AK025245

Synonym: 'Thalidesine'

IUPAC Name: (1R,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-dodecaen-19-ol

Structure

SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@@H]1C3=C(C=C(OC)C(=C3)OC3=C4C(=C(O)C(OC)=C3OC)CCN(C)[C@H]4C2)CCN1C

copy

InChI: InChI=1S/C38H42N2O7/c1-39-15-13-24-20-31(43-4)33-21-27(24)28(39)17-22-7-10-25(11-8-22)46-32-19-23(9-12-30(32)42-3)18-29-34-26(14-16-40(29)2)35(41)37(44-5)38(45-6)36(34)47-33/h7-12,19-21,28-29,41H,13-18H2,1-6H3/t28-,29+/m1/s1

copy

InChIKey: UYNHKOIUEXICNQ-WDYNHAJCSA-N

copy

Source

Properties Information

Molecule Weight: 638.761

TPSA: 82.09

MolLogP: 6.868000000000009

Number of H-Donors: 1

Number of H-Acceptors: 9

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information