Cichorine; O-(3-Methyl-2-butenyl)
AlkaPlorer ID: AK018425
Synonym: Zinnimidine
IUPAC Name: 4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)-2,3-dihydroisoindol-1-one
Structure
SMILES: COC1=C(C)C(OCC=C(C)C)=CC2=C1CN=C2O
InChI: InChI=1S/C15H19NO3/c1-9(2)5-6-19-13-7-11-12(8-16-15(11)17)14(18-4)10(13)3/h5,7H,6,8H2,1-4H3,(H,16,17)
InChIKey: DSOITGJEUKHAJN-UHFFFAOYSA-N
Reference
PubChem CID: 442878
CAS: 148717-77-5
LOTUS: LTS0173271
SuperNatural Ⅲ: SN0074317
COCONUT: CNP0115991
{NPAtlas: NPA000555
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alternaria porri | Alternaria | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
| Pestalotiopsis photiniae | Pestalotiopsis | Sporocadaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Alternaria cichorii | Alternaria | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 261.321
TPSA？: 51.05
MolLogP？: 3.1668200000000013
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|