Tiliaresine

AlkaPlorer ID: AK075823

Synonym: ''

IUPAC Name: (8R,21S)-16,26-dimethoxy-7,22-dimethyl-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),25,27,32-dodecaen-13-ol

Structure

SMILES: COC1=CC=C2C=C1C1=C(O)C=CC(=C1)C[C@@H]1C3=C(C=C4OC5=CC(OC)=C6CCN(C)[C@@H](C2)C6=C5OC4=C3)CCN1C

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InChI: InChI=1S/C36H36N2O5/c1-37-11-9-22-17-32-33-18-24(22)27(37)15-20-5-7-29(39)25(13-20)26-14-21(6-8-30(26)40-3)16-28-35-23(10-12-38(28)2)31(41-4)19-34(42-32)36(35)43-33/h5-8,13-14,17-19,27-28,39H,9-12,15-16H2,1-4H3/t27-,28+/m1/s1

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InChIKey: OZRDZWNMHMHRQG-IZLXSDGUSA-N

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Source

Properties Information

Molecule Weight: 576.6930000000002

TPSA: 63.63

MolLogP: 6.831200000000006

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information