Aspergillitine
AlkaPlorer ID: AK045379
Synonym: '', 'Aspergillitine'
IUPAC Name: 2,3,8-trimethylpyrano[3,2-h]isoquinolin-4-one
Structure
SMILES: CC1=CC2=CC=C3C(=O)C(C)=C(C)OC3=C2C=N1
InChI: InChI=1S/C15H13NO2/c1-8-6-11-4-5-12-14(17)9(2)10(3)18-15(12)13(11)7-16-8/h4-7H,1-3H3
InChIKey: UCURHOJUSAYQKR-UHFFFAOYSA-N
Reference
PubChem CID: 9991830
CAS: 494767-59-8
LOTUS: LTS0218632
SuperNatural Ⅲ: SN0367008
COCONUT: CNP0213722
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neopetrosia chaliniformis | Neopetrosia | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 239.274
TPSA？: 43.1
MolLogP？: 3.266460000000002
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Activity | None | None | 10.1021/np020196b |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | None | None | 10.1021/np020196b |