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GT32-B

AlkaPlorer ID: AK325937

Synonym: None

IUPAC Name: (3E,5E,7E,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-10-hydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one

Structure

SMILES: CCC/C=C/CC1C/C=C/C=C(C)/C=C/C=C\C(O)C/C=C(C)/C=C/C=C/C(O)=N1

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InChI: InChI=1S/C27H37NO2/c1-4-5-6-7-17-25-18-11-8-14-23(2)15-9-12-19-26(29)22-21-24(3)16-10-13-20-27(30)28-25/h6-16,19-21,25-26,29H,4-5,17-18,22H2,1-3H3,(H,28,30)/b7-6+,11-8+,15-9+,16-10+,19-12-,20-13+,23-14+,24-21+

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InChIKey: UMYFIUGQWGBKLX-MMJNJZBSSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 407.5980000000002

TPSA？: 52.82

MolLogP？: 6.8862000000000085

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aspergillus niger Aspergillus niger Activity nan None 10.1016/j.bmcl.2016.02.002
Bacillus subtilis Bacillus subtilis Activity nan None 10.1016/j.bmcl.2016.02.002
Candida albicans Candida albicans Activity nan None 10.1016/j.bmcl.2016.02.002
Escherichia coli Escherichia coli Activity nan None 10.1016/j.bmcl.2016.02.002
Homo sapiens HepG2 IC50 29430.0 nM 10.1016/j.bmcl.2016.02.002
Mus musculus BALB/3T3 IC50 800.0 nM 10.1016/j.bmcl.2016.02.002
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1016/j.bmcl.2016.02.002
None ADMET IC50 100000.0 nM 10.1016/j.bmcl.2016.02.002
None NON-PROTEIN TARGET IC50 5770.0 nM 10.1016/j.bmcl.2016.02.002
None NON-PROTEIN TARGET IC50 7670.0 nM 10.1016/j.bmcl.2016.02.002
None NON-PROTEIN TARGET IC50 72590.0 nM 10.1016/j.bmcl.2016.02.002
None NON-PROTEIN TARGET IC50 74830.0 nM 10.1016/j.bmcl.2016.02.002

Metabolism Information