Molecule

6-amino-7-[(2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-yl]-9-methylpurin-9-ium

AlkaPlorer ID: AK491973

Synonym: None

IUPAC Name: 7-[(2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dienyl]-9-methylpurin-9-ium-6-amine

Structure

SMILES: C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CN1C=[N+](C)C2=NC=NC(N)=C21

InChI: InChI=1S/C26H40N5/c1-19(12-13-22-21(3)11-8-15-26(22,4)5)9-7-10-20(2)14-16-31-18-30(6)25-23(31)24(27)28-17-29-25/h9,14,17-18,22H,3,7-8,10-13,15-16H2,1-2,4-6H3,(H2,27,28,29)/q+1/b19-9+,20-14+/t22-/m1/s1

InChIKey: PPCBHTAMQFLZHZ-DYKJIVJTSA-N

Reference

Structures of Agelasines, Diterpenes Having a 9-Methyladeninium Chromophore Isolated from the Okinawan Marine Sponge <i>Agelas nakamurai</i> Hoshino

PubChem CID: 11248116

LOTUS: LTS0105377

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Agelas nakamurai	Agelas	Agelasidae	Agelasida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 422.6410000000001

TPSA？: 60.61

MolLogP？: 5.673500000000004

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi