Roquefortine C; N16-(1,1-Dimethyl-3-oxobutyl)
AlkaPlorer ID: AK312657
Synonym: Roquefortine H
IUPAC Name: None
Structure
SMILES: C=CC(C)(C)C12CC3C(=O)N/C(=C/C4=CN(C(C)(C)CC(C)=O)C=N4)C(=O)N3C1NC1=CC=CC=C12
InChI: InChI=1S/C28H33N5O3/c1-7-26(3,4)28-14-22-23(35)30-21(12-18-15-32(16-29-18)27(5,6)13-17(2)34)24(36)33(22)25(28)31-20-11-9-8-10-19(20)28/h7-12,15-16,22,25,31H,1,13-14H2,2-6H3,(H,30,35)/b21-12+
InChIKey: IOMOQUZQAXSJJI-CIAFOILYSA-N
Reference
CAS: 1233239-74-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium sp. | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 487.6040000000002
TPSA？: 96.33
MolLogP？: 3.570700000000002
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|