Nitrotyrasanguinarine

AlkaPlorer ID: AK307970

Synonym: None

IUPAC Name: 4-[2-(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl)-2-nitroethyl]phenol

Structure

SMILES: CN1C2=C3C=C4OCOC4=CC3=CC=C2C2=CC=C3OCOC3=C2C1C(CC1=CC=C(O)C=C1)[N+](=O)[O-]

copy

InChI: InChI=1S/C28H22N2O7/c1-29-26-19(7-4-16-11-23-24(12-20(16)26)36-13-35-23)18-8-9-22-28(37-14-34-22)25(18)27(29)21(30(32)33)10-15-2-5-17(31)6-3-15/h2-9,11-12,21,27,31H,10,13-14H2,1H3

copy

InChIKey: RKBDQFXCPXWLKG-UHFFFAOYSA-N

copy

Properties Information

Molecule Weight: 498.4910000000002

TPSA: 103.53

MolLogP: 5.0487000000000055

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