Malyngamide I; Ac

AlkaPlorer ID: AK305094

Synonym: Stylocheilamide

IUPAC Name: [6-[(Z)-2-chloro-3-[[(E)-7-methoxytetradec-4-enoyl]-methylamino]prop-1-enyl]-4-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl] acetate

Structure

SMILES: CCCCCCCC(C/C=C/CCC(=O)N(C)C/C(Cl)=C/C12OC1CC(OC(C)=O)C(C)C2=O)OC

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InChI: InChI=1S/C28H44ClNO6/c1-6-7-8-9-11-14-23(34-5)15-12-10-13-16-26(32)30(4)19-22(29)18-28-25(36-28)17-24(35-21(3)31)20(2)27(28)33/h10,12,18,20,23-25H,6-9,11,13-17,19H2,1-5H3/b12-10+,22-18-

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InChIKey: GDESDHLFNHBFLN-ACJGXRTDSA-N

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Reference

PubChem CID: 90474943

CAS: 69121-74-0

Properties Information

Molecule Weight: 526.1140000000003

TPSA: 85.44000000000001

MolLogP: 5.347700000000006

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information