2'-Norfangchinoline

AlkaPlorer ID: AK004095

Synonym: "2'-Demethylfangchinoline", "2'-N-Norlimacine", "2'-Demethyl-(-)-fangchinoline", "(-)-2'-Norlimacine", "2'-Demethyllimacine", "2'-Demethyl-(+)-limacine"

IUPAC Name: (1R,14R)-9,20,25-trimethoxy-15-methyl-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),18,20,22(33),24,26,31-dodecaen-21-ol

Structure

SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@H]1NCCC3=C1C=C(OC1=C4C(=CC(OC)=C1O)CCN(C)[C@@H]4C2)C(OC)=C3

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InChI: InChI=1S/C36H38N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-22-7-10-29(40-2)31(17-22)43-25-8-5-21(6-9-25)15-27-26-20-32(44-36)30(41-3)18-23(26)11-13-37-27/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28-/m1/s1

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InChIKey: QRSIKBXDEMEDLL-VSGBNLITSA-N

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Source

Properties Information

Molecule Weight: 594.7080000000003

TPSA: 81.65

MolLogP: 6.517200000000008

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