Roquefortine A
AlkaPlorer ID: AK035926
Synonym: 'Isofumigaclavine A', '(8S,9S)-Fumigaclavine A', 'Roquefortine A', 'Fumigaclavine A'
IUPAC Name: [(6aR,9R,10R,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-10-yl] acetate
Structure
SMILES: CC(=O)O[C@H]1[C@@H]2C3=C4C(=CNC4=CC=C3)C[C@H]2N(C)C[C@H]1C
InChI: InChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15-,17-,18-/m1/s1
InChIKey: GJSSYQDXZLZOLR-QSZCKVCBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium roqueforti | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 298.3860000000001
TPSA？: 45.330000000000005
MolLogP？: 2.689400000000001
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|