Tiliamosine

AlkaPlorer ID: AK093680

Synonym: ''

IUPAC Name: (8S,21S)-16,26,27-trimethoxy-22-methyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25(33),26,28(32)-dodecaen-13-ol

Structure

SMILES: COC1=CC=C2C=C1C1=C(O)C=CC(=C1)C[C@@H]1NCCC3=C1C=C1OC4=C5C(=C(OC)C(OC)=C4OC1=C3)CCN(C)[C@H]5C2

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InChI: InChI=1S/C36H36N2O6/c1-38-12-10-22-32-27(38)16-20-6-8-29(40-2)25(14-20)24-13-19(5-7-28(24)39)15-26-23-18-31-30(17-21(23)9-11-37-26)44-36(34(32)43-31)35(42-4)33(22)41-3/h5-8,13-14,17-18,26-27,37,39H,9-12,15-16H2,1-4H3/t26-,27-/m0/s1

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InChIKey: UAPOCJPEYPOSTQ-SVBPBHIXSA-N

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Source

Properties Information

Molecule Weight: 592.6920000000001

TPSA: 81.65

MolLogP: 6.497600000000007

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information