Eremofortin E
AlkaPlorer ID: AK031900
Synonym: ''
IUPAC Name: [(1aR,2R,3R,3'S,3aR,5R,7bS)-3'-carbamoyl-3,3',3a-trimethyl-6-oxospiro[2,3,4,7b-tetrahydro-1aH-naphtho[1,2-b]oxirene-5,2'-oxirane]-2-yl] acetate
Structure
SMILES: CC(=O)O[C@H]1[C@H]2O[C@H]2C2=CC(=O)[C@]3(C[C@]2(C)[C@H]1C)O[C@]3(C)C(N)=O
InChI: InChI=1S/C17H21NO6/c1-7-11(22-8(2)19)13-12(23-13)9-5-10(20)17(6-15(7,9)3)16(4,24-17)14(18)21/h5,7,11-13H,6H2,1-4H3,(H2,18,21)/t7-,11+,12-,13+,15+,16+,17-/m0/s1
InChIKey: ASDRLEIRFUEAND-OQTUPIFJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium roqueforti | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 335.3560000000001
TPSA？: 111.51999999999998
MolLogP？: 0.2537000000000006
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|