Agelasine A; 8,9,10-Triepimer, 6'-N-oxime
AlkaPlorer ID: AK283541
Synonym: Ageloxime B
IUPAC Name: N-[7-[5-(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-methylpent-2-enyl]-9-methylpurin-9-ium-6-yl]hydroxylamine
Structure
SMILES: CC(=CCN1C=[N+](C)C2=NC=NC(NO)=C21)CCC1(C)C(C)CCC2(C)C(C)=CCCC21
InChI: InChI=1S/C26H40N5O/c1-18(12-15-31-17-30(6)24-22(31)23(29-32)27-16-28-24)10-13-25(4)20(3)11-14-26(5)19(2)8-7-9-21(25)26/h8,12,16-17,20-21,32H,7,9-11,13-15H2,1-6H3,(H,27,28,29)/q+1
InChIKey: MRWKJLOSJBCIOX-UHFFFAOYSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas mauritiana | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 438.6400000000003
TPSA？: 66.85000000000001
MolLogP？: 5.582200000000006
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|