VM-55599
AlkaPlorer ID: AK006172
Synonym: '', 'Preparaherquamide', '(-)-VM-55599', 'VM-55599'
IUPAC Name: (1S,13S,15R,16S)-12,12,16-trimethyl-10,19,21-triazahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-3(11),4,6,8-tetraen-22-one
Structure
SMILES: C[C@H]1CCN2C[C@]34CC5=C(NC6=CC=CC=C56)C(C)(C)[C@@H]3C[C@]12C(O)=N4
InChI: InChI=1S/C22H27N3O/c1-13-8-9-25-12-21-10-15-14-6-4-5-7-16(14)23-18(15)20(2,3)17(21)11-22(13,25)19(26)24-21/h4-7,13,17,23H,8-12H2,1-3H3,(H,24,26)/t13-,17-,21+,22+/m0/s1
InChIKey: FBXHMCWNISYEEV-PYXPWJLNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium herquei | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 349.4780000000001
TPSA？: 51.620000000000005
MolLogP？: 3.8110000000000026
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 7
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 |