Rosellichalasin; 22-Hydroxy, 18,19-dihydro

AlkaPlorer ID: AK312679

Synonym: None

IUPAC Name: 18-benzyl-8-(hydroxymethyl)-6,15,16-trimethyl-2,14-dioxa-19-azatetracyclo[10.8.0.01,17.013,15]icos-10-ene-3,7,20-trione

Structure

SMILES: CC1CCC(=O)OC23C(O)=NC(CC4=CC=CC=C4)C2C(C)C2(C)OC2C3C=CCC(CO)C1=O

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InChI: InChI=1S/C28H35NO6/c1-16-12-13-22(31)34-28-20(11-7-10-19(15-30)24(16)32)25-27(3,35-25)17(2)23(28)21(29-26(28)33)14-18-8-5-4-6-9-18/h4-9,11,16-17,19-21,23,25,30H,10,12-15H2,1-3H3,(H,29,33)

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InChIKey: GLCQILWZXNNVNR-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 481.5890000000003

TPSA: 108.72

MolLogP: 3.443200000000003

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information