5-N-acetyl-15bβ- hydroxyardeemin
AlkaPlorer ID: AK091894
Synonym: None
IUPAC Name: (1R,12R,15S,23R)-16-acetyl-1-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@@]12C[C@@]3(O)C4=NC5=CC=CC=C5C(=O)N4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)C1=CC=CC=C12
InChI: InChI=1S/C28H28N4O4/c1-6-26(4,5)27-15-28(36)24-29-20-13-9-7-11-18(20)23(35)30(24)16(2)22(34)32(28)25(27)31(17(3)33)21-14-10-8-12-19(21)27/h6-14,16,25,36H,1,15H2,2-5H3/t16-,25+,27-,28-/m1/s1
InChIKey: UTVHCNQHDCRVMF-HMGCFDHMSA-N
Reference
Bioactive Alkaloids from the Plant Endophytic Fungus<i>Aspergillus terreus</i>
PubChem CID: 9982792
LOTUS: LTS0073141
SuperNatural Ⅲ: SN0379972-03
{NPAtlas: NPA014161
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？: 95.73999999999998
MolLogP？: 3.191300000000002
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|