Agelasine C; 8,9-Diepimer, Δ5(10)-isomer
AlkaPlorer ID: AK283543
Synonym: Agelasine J
IUPAC Name: 9-methyl-7-[3-methyl-5-(1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl)pent-2-enyl]purin-9-ium-6-amine
Structure
SMILES: CC(=CCN1C=[N+](C)C2=NC=NC(N)=C21)CCC1(C)C2=C(CCC1C)C(C)(C)CCC2
InChI: InChI=1S/C26H40N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)11-14-26(5)19(2)9-10-20-21(26)8-7-13-25(20,3)4/h12,16-17,19H,7-11,13-15H2,1-6H3,(H2,27,28,29)/q+1
InChIKey: DEFHXOODJAASPT-UHFFFAOYSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Mauritiana | Halotthiaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 422.6410000000003
TPSA？: 60.61
MolLogP？: 5.507400000000006
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|