Fischerellin A

AlkaPlorer ID: AK298355

Synonym: None

IUPAC Name: 3-hydroxy-1,2-dimethyl-4-[4-methyl-2-[(E)-2-methyltetradec-4-en-6,8-diynyl]-3,4-dihydro-2H-pyrrol-5-yl]-2H-pyrrol-5-one

Structure

SMILES: CCCCCC#CC#C/C=C/CC(C)CC1CC(C)/C(=C2/C(=O)C(C)N(C)C2=O)N1

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InChI: InChI=1S/C26H36N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-19(2)17-22-18-20(3)24(27-22)23-25(29)21(4)28(5)26(23)30/h14-15,19-22,27H,6-9,16-18H2,1-5H3/b15-14+,24-23+

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InChIKey: UJRQFLBBBCLATN-ITNOJFFJSA-N

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Reference

CAS: 182227-56-1

Source

Properties Information

Molecule Weight: 408.5860000000001

TPSA: 49.41

MolLogP: 4.227700000000003

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information