2'-Norisotetrandrine

AlkaPlorer ID: AK077200

Synonym: '', "2'-Nortetrandrine", 'Cycleanorine', 'Cycleanorin'

IUPAC Name: (1S,14S)-9,20,21,25-tetramethoxy-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-dodecaene

Structure

SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@@H]1NCCC3=C1C=C(OC1=C4C(=CC(OC)=C1OC)CCN(C)[C@H]4C2)C(OC)=C3

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InChI: InChI=1S/C37H40N2O6/c1-39-15-13-25-20-34(42-4)36(43-5)37-35(25)29(39)17-23-8-11-30(40-2)32(18-23)44-26-9-6-22(7-10-26)16-28-27-21-33(45-37)31(41-3)19-24(27)12-14-38-28/h6-11,18-21,28-29,38H,12-17H2,1-5H3/t28-,29-/m0/s1

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InChIKey: LHIFPLJVJKKRTD-VMPREFPWSA-N

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Properties Information

Molecule Weight: 608.7350000000004

TPSA: 70.65

MolLogP: 6.820200000000008

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information