5-N-acetyl-16α-hydroxyardeemin
AlkaPlorer ID: AK058728
Synonym: None
IUPAC Name: (1R,12R,15R,23S,24R)-16-acetyl-24-hydroxy-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@]12C3=CC=CC=C3N(C(C)=O)[C@H]1N1C(=O)[C@@H](C)N3C(=NC4=CC=CC=C4C3=O)[C@@H]1[C@@H]2O
InChI: InChI=1S/C28H28N4O4/c1-6-27(4,5)28-18-12-8-10-14-20(18)31(16(3)33)26(28)32-21(22(28)34)23-29-19-13-9-7-11-17(19)25(36)30(23)15(2)24(32)35/h6-15,21-22,26,34H,1H2,2-5H3/t15-,21+,22+,26+,28+/m1/s1
InChIKey: NZEBQKVTPTVMHB-XEFJRJENSA-N
Reference
Bioactive Alkaloids from the Plant Endophytic Fungus<i>Aspergillus terreus</i>
PubChem CID: 76685258
LOTUS: LTS0113432
{NPAtlas: NPA004131
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 484.5560000000002
TPSA？: 95.74
MolLogP？: 3.058100000000002
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|