(-)-Secojollyanine

AlkaPlorer ID: AK094214

Synonym: 'Secojollyanine'

IUPAC Name: (5S)-5-[[4-[5-(hydroxymethyl)-2-methoxyphenoxy]phenyl]methyl]-11-methoxy-6,19-dimethyl-2,13-dioxa-6,19-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3,9,11,15,21-hexaen-20-one

Structure

SMILES: COC1=CC=C(CO)C=C1OC1=CC=C(C[C@H]2C3=C4OC5=CC6=C(C=C5OC4=C(OC)C=C3CCN2C)CCN(C)C6=O)C=C1

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InChI: InChI=1S/C36H36N2O7/c1-37-13-12-24-18-32(42-4)34-35(45-31-19-26-23(17-30(31)44-34)11-14-38(2)36(26)40)33(24)27(37)15-21-5-8-25(9-6-21)43-29-16-22(20-39)7-10-28(29)41-3/h5-10,16-19,27,39H,11-15,20H2,1-4H3/t27-/m0/s1

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InChIKey: ZEVLYIAZBIKWOG-MHZLTWQESA-N

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Source

Properties Information

Molecule Weight: 608.6910000000003

TPSA: 89.93

MolLogP: 6.286200000000006

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information