Mirilactam A; 10-Deoxy

AlkaPlorer ID: AK306786

Synonym: Mirilactam B

IUPAC Name: 10,12,14-trihydroxy-21,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one

Structure

SMILES: CC1=CC=CCC(C)NC(=O)C=CC=CC=CCC(O)CC(O)CC(O)C=CC=CC=C1

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InChI: InChI=1S/C27H37NO4/c1-22-14-8-6-7-10-18-25(30)21-26(31)20-24(29)17-9-4-3-5-11-19-27(32)28-23(2)16-13-12-15-22/h3-15,18-19,23-26,29-31H,16-17,20-21H2,1-2H3,(H,28,32)

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InChIKey: BWQFCFMXHXVEMY-UHFFFAOYSA-N

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Reference

PubChem CID: 163107709

COCONUT: CNP0427739.1

Source

Properties Information

Molecule Weight: 439.5960000000002

TPSA: 89.79

MolLogP: 3.9875000000000025

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information