Hispidospermidin
AlkaPlorer ID: AK071302
Synonym: None
IUPAC Name: N'-[3-(dimethylamino)propyl]-N'-methyl-N-[(1S,2R,5S,6S,7S,8R,9R)-2,6,9-trimethyl-13-oxatetracyclo[6.3.1.16,9.01,5]tridecan-7-yl]butane-1,4-diamine
Structure
SMILES: C[C@@H]1CC[C@H]2[C@]13CC[C@@]1(C)O[C@]2(C)[C@@H](NCCCCN(C)CCCN(C)C)[C@H]1C3
InChI: InChI=1S/C25H47N3O/c1-19-10-11-21-24(3)22(20-18-25(19,21)13-12-23(20,2)29-24)26-14-7-8-16-28(6)17-9-15-27(4)5/h19-22,26H,7-18H2,1-6H3/t19-,20-,21-,22+,23-,24+,25+/m1/s1
InChIKey: JIRJLWLQLDLWSW-XNDBBLGPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chaetosphaeronema hispidulum | Chaetosphaeronema | Phaeosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 405.6710000000003
TPSA？: 27.74
MolLogP？: 4.002100000000003
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma-1 | IC50 | 16000.0 | nM | 10.1021/np970367q |