Paraherquamide K
AlkaPlorer ID: AK092696
Synonym: None
IUPAC Name: (1'S,3R,5'R,7'R,9'S)-5',7,7,10',10',13'-hexamethylspiro[1H-pyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,4',14'-trione
Structure
SMILES: C[C@@H]1C[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]4(CN2C1=O)N(C)C3=O)C(=O)NC1=C5C=CC2=C1C=CC(C)(C)O2
InChI: InChI=1S/C28H33N3O4/c1-15-11-26-12-19-25(4,5)28(13-27(19,30(6)23(26)34)14-31(26)21(15)32)17-7-8-18-16(20(17)29-22(28)33)9-10-24(2,3)35-18/h7-10,15,19H,11-14H2,1-6H3,(H,29,33)/t15-,19+,26+,27-,28-/m1/s1
InChIKey: CCCBJAASKLBNPN-CJPPBLRISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus duricaulis | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 475.5890000000002
TPSA？: 78.95
MolLogP？: 3.328500000000002
Number of H-Donors: 1
Number of H-Acceptors: 4
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 |