Setoclavine; (±)-form
AlkaPlorer ID: AK313461
Synonym: None
IUPAC Name: 7,9-dimethyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-ol
Structure
SMILES: CN1CC(C)(O)C=C2C3=C4C(=CNC4=CC=C3)CC21
InChI: InChI=1S/C16H18N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,7-8,14,17,19H,6,9H2,1-2H3
InChIKey: BGVUWLLRNRBDAY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Claviceps purpurea | Claviceps | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| None | Argyreia | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 254.333
TPSA？: 39.26
MolLogP？: 2.1724
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|