Roquefortine C; 11a-Methoxy
AlkaPlorer ID: AK312661
Synonym: Roquefortine I
IUPAC Name: None
Structure
SMILES: C=CC(C)(C)C12CC3(OC)C(=O)N/C(=C/C4=CNC=N4)C(=O)N3C1NC1=CC=CC=C12
InChI: InChI=1S/C23H25N5O3/c1-5-21(2,3)22-12-23(31-4)20(30)27-17(10-14-11-24-13-25-14)18(29)28(23)19(22)26-16-9-7-6-8-15(16)22/h5-11,13,19,26H,1,12H2,2-4H3,(H,24,25)(H,27,30)/b17-10+
InChIKey: VBCVNTFADLECCP-LICLKQGHSA-N
Reference
CAS: 1233239-75-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium sp. | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 419.4850000000001
TPSA？: 99.34999999999998
MolLogP？: 2.3572
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|