Paspaclavine
AlkaPlorer ID: AK096904
Synonym: None
IUPAC Name: (2R,3R,5R,7R)-5,6-dimethyl-3-prop-1-en-2-yl-4-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
Structure
SMILES: C=C(C)[C@@H]1O[C@H](C)N(C)[C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]21
InChI: InChI=1S/C18H22N2O/c1-10(2)18-17-13-6-5-7-14-16(13)12(9-19-14)8-15(17)20(4)11(3)21-18/h5-7,9,11,15,17-19H,1,8H2,2-4H3/t11-,15-,17-,18+/m1/s1
InChIKey: KBOWIUHISHXEEI-PTFKWJCZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Claviceps paspali | Claviceps | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 282.38700000000006
TPSA？: 28.26
MolLogP？: 3.4289000000000023
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|