2-N-Norobamegine

AlkaPlorer ID: AK050352

Synonym: 'Norobamegine', '(+)-Norobamegine', '2-Norobamegine'

IUPAC Name: (1S,14R)-20,25-dimethoxy-30-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-9,21-diol

Structure

SMILES: COC1=C2C=C3C(=C1)CCN(C)[C@H]3CC1=CC=C(C=C1)OC1=CC(=CC=C1O)C[C@H]1NCCC3=C1C(=C(O)C(OC)=C3)O2

copy

InChI: InChI=1S/C35H36N2O6/c1-37-13-11-22-17-30(40-2)31-19-25(22)27(37)15-20-4-7-24(8-5-20)42-29-16-21(6-9-28(29)38)14-26-33-23(10-12-36-26)18-32(41-3)34(39)35(33)43-31/h4-9,16-19,26-27,36,38-39H,10-15H2,1-3H3/t26-,27+/m1/s1

copy

InChIKey: CAPNACHMCYSNMC-SXOMAYOGSA-N

copy

Source

Properties Information

Molecule Weight: 580.6810000000003

TPSA: 92.65000000000002

MolLogP: 6.214200000000007

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information