29-N-demethylparaherquamide J
AlkaPlorer ID: AK092707
Synonym: None
IUPAC Name: (1'S,5'R,7'R,8R,9'S)-4,4,5',10',10'-pentamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-4',9,14'-trione
Structure
SMILES: C[C@@H]1C[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]4(CN2C1=O)NC3=O)C(=O)NC1=C5C=CC2=C1OC=CC(C)(C)O2
InChI: InChI=1S/C27H31N3O5/c1-14-10-26-11-17-24(4,5)27(12-25(17,29-21(26)32)13-30(26)20(14)31)15-6-7-16-19(18(15)28-22(27)33)34-9-8-23(2,3)35-16/h6-9,14,17H,10-13H2,1-5H3,(H,28,33)(H,29,32)/t14-,17+,25-,26+,27-/m1/s1
InChIKey: PEVZJUJQPWJAGG-PVKOJMPMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus duricaulis | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 477.56100000000026
TPSA？: 96.97
MolLogP？: 2.865600000000001
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 | Amyloid-beta A4 protein | EC50 | 300000.0 | nM | 10.1021/acs.jnatprod.5b00508 |
| Homo sapiens | Amyloid-beta A4 protein | IC50 | 300000.0 | nM | 10.1021/acs.jnatprod.5b00508 |