Monasnicotinate B

AlkaPlorer ID: AK082617

Synonym: 'Monasnicotinate B'

IUPAC Name: ethyl 4-(2-acetyl-4-oxonon-1-enyl)-6-prop-1-enylpyridine-3-carboxylate

Structure

SMILES: CC=CC1=NC=C(C(=O)OCC)C(C=C(CC(=O)CCCCC)C(C)=O)=C1

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InChI: InChI=1S/C22H29NO4/c1-5-8-9-11-20(25)14-17(16(4)24)12-18-13-19(10-6-2)23-15-21(18)22(26)27-7-3/h6,10,12-13,15H,5,7-9,11,14H2,1-4H3

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InChIKey: VKRRVUCFOHUBRO-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Monascus pilosus Monascus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 371.4770000000002

TPSA: 73.33

MolLogP: 4.803300000000005

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information