(+)-agelasine B
AlkaPlorer ID: AK017302
Synonym: None
IUPAC Name: None
Structure
SMILES: [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)CC/C(C)=C/C/[N+]1=C/N(C)C2=NC=NC(N)=C12
InChI: InChI=1S/C26H40N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)10-13-25(4)20(3)11-14-26(5)19(2)8-7-9-21(25)26/h8,12,16-17,20-21H,7,9-11,13-15H2,1-6H3,(H2,27,28,29)/q+1/b18-12+/t20-,21-,25+,26+/m0/s1
InChIKey: YCSGSEAQYPDNAQ-HFYKSFLZSA-N
Reference
Antimicrobial Diterpene Alkaloids from an Agelas citrina Sponge Collected in the Yucatán Peninsula
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas citrina | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 422.64100000000013
TPSA？: 60.61
MolLogP？: 5.363300000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|