Verruculogen; 25-Hydroxy, 13-O-(3-methyl-2-butenyl) 

AlkaPlorer ID: AK317537

Synonym: 25-Hydroxyfumitremorgin A

IUPAC Name: None

Structure

SMILES: COC1=CC=C2C3=C4C(CC(C)(C)OOC(/C=C(/C)CO)N4C2=C1)N1C(=O)C2CCCN2C(=O)C1(O)C3OCC=C(C)C

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InChI: InChI=1S/C32H41N3O8/c1-18(2)11-13-41-28-26-21-10-9-20(40-6)15-23(21)34-25(14-19(3)17-36)42-43-31(4,5)16-24(27(26)34)35-29(37)22-8-7-12-33(22)30(38)32(28,35)39/h9-11,14-15,22,24-25,28,36,39H,7-8,12-13,16-17H2,1-6H3/b19-14-

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InChIKey: MROXPMGDKBAOJZ-RGEXLXHISA-N

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Reference

Properties Information

Molecule Weight: 595.6930000000002

TPSA: 122.93

MolLogP: 3.818000000000003

Number of H-Donors: 2

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information