Icosalide A1 

AlkaPlorer ID: AK302302

Synonym: None

IUPAC Name: 20-heptyl-3,16-bis(hydroxymethyl)-6,13-bis(2-methylpropyl)-10-pentyl-1,11-dioxa-4,7,14,17-tetrazacycloicosane-2,5,8,12,15,18-hexone

Structure

SMILES: CCCCCCCC1CC(O)=NC(CO)C(O)=NC(CC(C)C)C(=O)OC(CCCCC)CC(O)=NC(CC(C)C)C(O)=NC(CO)C(=O)O1

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InChI: InChI=1S/C36H64N4O10/c1-7-9-11-12-14-16-26-20-32(44)38-29(21-41)34(46)39-28(18-24(5)6)35(47)49-25(15-13-10-8-2)19-31(43)37-27(17-23(3)4)33(45)40-30(22-42)36(48)50-26/h23-30,41-42H,7-22H2,1-6H3,(H,37,43)(H,38,44)(H,39,46)(H,40,45)

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InChIKey: YCLORVUKJQGWLJ-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 712.9260000000004

TPSA: 223.42

MolLogP: 5.921800000000006

Number of H-Donors: 6

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information