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Glucopiericidinol A1

AlkaPlorer ID: AK034893

Synonym: '', 'Glucopiericidinol A2', 'Glucopiericidinol A1'

IUPAC Name: 2-[(1E,5E,7E,11E)-3-hydroxy-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-1,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one

Structure

SMILES: C/C=C(\C)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)/C=C(C)/C=C/CC(C)(O)/C=C/C1=C(C)C(O)=C(OC)C(OC)=N1

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InChI: InChI=1S/C31H47NO10/c1-9-18(3)27(42-30-26(37)25(36)24(35)22(16-33)41-30)19(4)15-17(2)11-10-13-31(6,38)14-12-21-20(5)23(34)28(39-7)29(32-21)40-8/h9-12,14-15,19,22,24-27,30,33,35-38H,13,16H2,1-8H3,(H,32,34)/b11-10+,14-12+,17-15+,18-9+/t19?,22-,24-,25+,26-,27?,30+,31?/m1/s1

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InChIKey: FXKCPQKAYSQRGI-GDXSFRBMSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None None Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 593.7140000000002

TPSA？: 171.19

MolLogP？: 2.5570200000000005

Number of H-Donors: 6

Number of H-Acceptors: 11

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens HeLa S3 IC50 0.62 ug.mL-1 10.1016/j.ejmech.2017.10.015
Homo sapiens HeLa S3 IC50 0.98 ug.mL-1 10.1016/j.ejmech.2017.10.015
Homo sapiens NCI-H69 IC50 0.47 ug.mL-1 10.1016/j.ejmech.2017.10.015
Homo sapiens NCI-H69 IC50 0.83 ug.mL-1 10.1016/j.ejmech.2017.10.015
Mus musculus B16 IC50 0.32 ug.mL-1 10.1016/j.ejmech.2017.10.015
Mus musculus B16 IC50 0.67 ug.mL-1 10.1016/j.ejmech.2017.10.015
Mus musculus P388 IC50 0.58 ug.mL-1 10.1016/j.ejmech.2017.10.015
Mus musculus P388 IC50 2.5 ug.mL-1 10.1016/j.ejmech.2017.10.015
Mus musculus P388/ADM IC50 4.2 ug.mL-1 10.1016/j.ejmech.2017.10.015
Mus musculus P388/ADM IC50 4.3 ug.mL-1 10.1016/j.ejmech.2017.10.015

Metabolism Information