Chanoclavine II
AlkaPlorer ID: AK002699
Synonym: None
IUPAC Name: (E)-2-methyl-3-[(4R,5S)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol
Structure
SMILES: CN[C@@H]1CC2=CNC3=CC=CC(=C23)[C@@H]1/C=C(\C)CO
InChI: InChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/b10-6+/t13-,15+/m0/s1
InChIKey: SAHHMCVYMGARBT-GJTNBUKJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Claviceps purpurea | Claviceps | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 256.349
TPSA？: 48.05
MolLogP？: 2.3342000000000005
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|