10-heptyl-6-methyl-7,9,12-triazatricyclo[6.3.1.0?,¹²]dodeca-4,6,8-triene-5-carboxylic acid
AlkaPlorer ID: AK133039
Synonym: None
IUPAC Name: (1S,10R)-10-heptyl-6-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene-5-carboxylic acid
Structure
SMILES: CCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)O)C(C)=NC(=N1)N32
InChI: InChI=1S/C18H27N3O2/c1-3-4-5-6-7-8-13-11-14-9-10-15-16(17(22)23)12(2)19-18(20-13)21(14)15/h13-14H,3-11H2,1-2H3,(H,22,23)/t13-,14+/m1/s1
InChIKey: POLLUERWBGBCBB-KGLIPLIRSA-N
Reference
Bioactive Guanidine Alkaloids from Two Caribbean Marine Sponges
PubChem CID: 162819889
LOTUS: LTS0139012
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monanchora arbuscula | Monanchora | Crambeidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Clathria calla | Clathria | Microcionidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 317.433
TPSA？: 65.25999999999999
MolLogP？: 3.7528000000000015
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|