Cordyformamide; 3',3''-Dideoxy, 4'-Me ether, 4''-sulfate

AlkaPlorer ID: AK292989

Synonym: Fumiformamide

IUPAC Name: [4-[(1Z,3Z)-2,3-diformamido-4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl] hydrogen sulfate

Structure

SMILES: COC1=CC=C(/C=C(NC=O)/C(=C/C2=CC=C(OS(=O)(=O)O)C=C2)NC=O)C=C1

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InChI: InChI=1S/C19H18N2O7S/c1-27-16-6-2-14(3-7-16)10-18(20-12-22)19(21-13-23)11-15-4-8-17(9-5-15)28-29(24,25)26/h2-13H,1H3,(H,20,22)(H,21,23)(H,24,25,26)/b18-10-,19-11-

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InChIKey: RENNWVCPMZUVQU-BJPQZVBLSA-N

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Reference

PubChem CID: 53387666

CAS: 1312767-60-4

NPASS: NPC323600

Properties Information

Molecule Weight: 418.4270000000001

TPSA: 131.03

MolLogP: 1.7508

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Burkholderia thailandensis Burkholderia thailandensis Activity None None 10.1021/np200255f
Candida albicans Candida albicans Activity None None 10.1021/np200255f
Escherichia coli Escherichia coli Activity None None 10.1021/np200255f
Fusarium incarnatum Fusarium incarnatum Activity None None 10.1021/np200255f
Homo sapiens A498 Activity None None 10.1021/np200255f
Homo sapiens ACHN Activity None None 10.1021/np200255f
Homo sapiens HOP-92 Activity None None 10.1021/np200255f
Homo sapiens Malme-3M Activity None None 10.1021/np200255f
Homo sapiens MOLT-4 Activity None None 10.1021/np200255f
Homo sapiens NCI-H460 Activity None None 10.1021/np200255f
Homo sapiens SF-295 Activity None None 10.1021/np200255f
Homo sapiens SK-MEL-28 Activity None None 10.1021/np200255f
Homo sapiens SK-MEL-5 Activity None None 10.1021/np200255f
Homo sapiens SK-OV-3 Activity None None 10.1021/np200255f
Homo sapiens U-251 Activity None None 10.1021/np200255f
Homo sapiens UACC-62 Activity None None 10.1021/np200255f
Staphylococcus aureus Staphylococcus aureus Activity None None 10.1021/np200255f

Metabolism Information