N-hydroxy-6-epi-stephacidin A
AlkaPlorer ID: AK085686
Synonym: None
IUPAC Name: (1S,17R,19S)-14-hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-3(15),4(13),5,7(12),10-pentaene-24,26-dione
Structure
SMILES: CC1(C)C=CC2=C3C(=CC=C2O1)C1=C(N3O)C(C)(C)[C@H]2C[C@]34CCCN3C(=O)[C@@]2(C1)N=C4O
InChI: InChI=1S/C26H29N3O4/c1-23(2)10-8-15-17(33-23)7-6-14-16-12-26-18(24(3,4)20(16)29(32)19(14)15)13-25(21(30)27-26)9-5-11-28(25)22(26)31/h6-8,10,18,32H,5,9,11-13H2,1-4H3,(H,27,30)/t18-,25+,26+/m1/s1
InChIKey: XRIDAPFEFSQMPC-LROUJFHJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus taichungensis | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 447.5350000000003
TPSA？: 87.29
MolLogP？: 3.986500000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 1880.0 | nM | 10.1016/j.ejmech.2022.114117 |
| Homo sapiens | HL-60 | IC50 | 4450.0 | nM | 10.1016/j.ejmech.2022.114117 |