Agroclavine; (-)-form, N6-Oxide(S-)
AlkaPlorer ID: AK283596
Synonym: Agroclavine N6-oxide
IUPAC Name: None
Structure
SMILES: CC1=CC2C3=C4C(=CNC4=CC=C3)CC2[N+](C)([O-])C1
InChI: InChI=1S/C16H18N2O/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2,19)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3
InChIKey: AHDGPOBANJUSCE-UHFFFAOYSA-N
Reference
CAS: 2079885-70-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xylaria nigripes | Xylaria | Xylariaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 254.333
TPSA？: 38.85
MolLogP？: 3.0805000000000016
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|