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Pyrronazol A1

AlkaPlorer ID: AK057153

Synonym: 'Pyrronazol A1', 'Pyrronazol A2'

IUPAC Name: (2S,3S)-2-[2-[(E)-1-(5-chloro-1H-pyrrol-2-yl)-3-hydroxyprop-1-en-2-yl]-1,3-oxazol-4-yl]-4-methoxy-3-methyl-2,3-dihydropyran-6-one

Structure

SMILES: COC1=CC(=O)O[C@H](C2=COC(/C(=C/C3=CC=C(Cl)N3)CO)=N2)[C@@H]1C

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InChI: InChI=1S/C17H17ClN2O5/c1-9-13(23-2)6-15(22)25-16(9)12-8-24-17(20-12)10(7-21)5-11-3-4-14(18)19-11/h3-6,8-9,16,19,21H,7H2,1-2H3/b10-5+/t9-,16+/m1/s1

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InChIKey: ZFKNRTLKFAAYBN-OYXDOCPSSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Nannocystis pusilla Nannocystis Nannocystaceae Nannocystales None Myxococcota None Bacteria

Properties Information

Molecule Weight: 364.785

TPSA？: 97.58

MolLogP？: 2.9533000000000005

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aspergillus flavus Aspergillus flavus MIC nan None 10.1021/np400877r
Aspergillus fumigatus Aspergillus fumigatus MIC nan None 10.1021/np400877r
Chromobacterium violaceum Chromobacterium violaceum MIC nan None 10.1021/np400877r
Homo sapiens A549 LD50 27.14 uM 10.1021/np400877r
Homo sapiens HUVEC LD50 27.41 uM 10.1021/np400877r
Homo sapiens SK-OV-3 LD50 27.41 uM 10.1021/np400877r
Mucor hiemalis Mucor hiemalis MIC 33.3 ug.mL-1 10.1021/np400877r
Mus musculus L929 LD50 27.41 uM 10.1021/np400877r
Mycobacterium sp. Mycobacterium sp. MIC nan None 10.1021/np400877r
Mycolicibacterium diernhoferi Mycolicibacterium diernhoferi MIC nan None 10.1021/np400877r
Nocardia sp. Nocardia sp. MIC nan None 10.1021/np400877r
Paenibacillus polymyxa Paenibacillus polymyxa MIC nan None 10.1021/np400877r
Wickerhamomyces anomalus Wickerhamomyces anomalus MIC nan None 10.1021/np400877r
None Molecular identity unknown MIC nan None 10.1021/np400877r
None NON-PROTEIN TARGET LD50 27.41 uM 10.1021/np400877r

Metabolism Information