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5-N-acetylardeemin

AlkaPlorer ID: AK084036

Synonym: None

IUPAC Name: (1S,12R,15R,23R)-16-acetyl-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetrazahexacyclo[12.10.0.02,11.04,9.015,23.017,22]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione

Structure

SMILES: C=CC(C)(C)[C@@]12C[C@H]3C4=NC5=CC=CC=C5C(=O)N4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)C1=CC=CC=C12

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InChI: InChI=1S/C28H28N4O3/c1-6-27(4,5)28-15-22-23-29-20-13-9-7-11-18(20)25(35)30(23)16(2)24(34)32(22)26(28)31(17(3)33)21-14-10-8-12-19(21)28/h6-14,16,22,26H,1,15H2,2-5H3/t16-,22+,26+,28-/m1/s1

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InChIKey: XTLQWSBGQKPGCF-YWDSKPHESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aspergillus fumigatus Aspergillus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 468.5570000000002

TPSA？: 75.51

MolLogP？: 4.087300000000004

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens ATP-binding cassette sub-family G member 2 Inhibition 21.8 % 10.1016/j.bmc.2015.03.017
Homo sapiens ATP-binding cassette sub-family G member 2 Inhibition nan % 10.1016/j.bmc.2015.03.017
None Unchecked FC 700.0 None 10.1016/j.ejmech.2017.06.047

Metabolism Information