Solanapyrone B; 4'-Demethoxy, 4'-[(2-hydroxyethyl)amino], 1''-aldehyde
AlkaPlorer ID: AK313729
Synonym: Solanapyrone C
IUPAC Name: 4-(2-hydroxyethylamino)-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-2-oxopyran-3-carbaldehyde
Structure
SMILES: CC1C=CC2CCCCC2C1C1=CC(NCCO)=C(C=O)C(=O)O1
InChI: InChI=1S/C19H25NO4/c1-12-6-7-13-4-2-3-5-14(13)18(12)17-10-16(20-8-9-21)15(11-22)19(23)24-17/h6-7,10-14,18,20-21H,2-5,8-9H2,1H3
InChIKey: FDLXGUBSZCJEGE-UHFFFAOYSA-N
Reference
Solanapyrones A, B and C, phytotoxic metabolites from the fungus Alternaria solani
PubChem CID: 13422272
CAS: 88899-59-6
LOTUS: LTS0139779
COCONUT: CNP0238563.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ascochyta rabiei | Ascochyta | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
| None | Alternaria | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 331.41200000000015
TPSA？: 79.54
MolLogP？: 2.952400000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|