Peniciherquamide A
AlkaPlorer ID: AK103222
Synonym: None
IUPAC Name: (1'S,3R,6'S,7'R,9'S)-6',7,7,10',10'-pentamethylspiro[1,8-dihydropyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,9,14'-trione
Structure
SMILES: C[C@H]1CCN2C[C@]34C[C@@]5(C(O)=NC6=C5C=CC5=C6C(=O)CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]12C(O)=N4
InChI: InChI=1S/C27H33N3O4/c1-14-8-9-30-13-25-12-26(24(4,5)18(25)11-27(14,30)22(33)29-25)15-6-7-17-19(20(15)28-21(26)32)16(31)10-23(2,3)34-17/h6-7,14,18H,8-13H2,1-5H3,(H,28,32)(H,29,33)/t14-,18-,25+,26+,27+/m0/s1
InChIKey: QHKDAOMEFDLNBK-VXSVNRBSSA-N
Reference
Anti-hepatitis C Virus Natural Product from a Fungus, <i>Penicillium herquei</i>
PubChem CID: 127048140
LOTUS: LTS0162631
NPASS: NPC484468
{NPAtlas: NPA021861
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium herquei | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 463.5780000000003
TPSA？: 94.72
MolLogP？: 4.509100000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepacivirus hominis | Hepatitis C virus | IC50 | 40000.0 | nM | 10.1021/acs.jnatprod.5b00555 |