Ardeemin; N5-Ac
AlkaPlorer ID: AK289164
Synonym: 5-N-Acetylardeemin
IUPAC Name: 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)C12CC3C4=NC5=CC=CC=C5C(=O)N4C(C)C(=O)N3C1N(C(C)=O)C1=CC=CC=C12
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
InChIKey: XTLQWSBGQKPGCF-UHFFFAOYSA-N
Reference
Bioactive Alkaloids from the Plant Endophytic Fungus<i>Aspergillus terreus</i>
PubChem CID: 22629149
CAS: 148411-26-3
LOTUS: LTS0269033
COCONUT: CNP0237594.2
Source
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
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