Purealdin L
AlkaPlorer ID: AK014204
Synonym: None
IUPAC Name: (5S,6R)-7,9-dibromo-N-[4-(diaminomethylideneamino)butyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Structure
SMILES: COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCCN=C(N)N)=NO2
InChI: InChI=1S/C15H21Br2N5O4/c1-25-11-8(16)6-15(12(23)10(11)17)7-9(22-26-15)13(24)20-4-2-3-5-21-14(18)19/h6,12,23H,2-5,7H2,1H3,(H,20,24)(H4,18,19,21)/t12-,15+/m0/s1
InChIKey: VJEGSWJGTALRBW-SWLSCSKDSA-N
Reference
Purealidins J-R, New Bromotyrosine Alkaloids from the Okinawan Marine Sponge Psammaplysilla purea.
PubChem CID: 10391052
LOTUS: LTS0158228
SuperNatural Ⅲ: SN0391733-01
NPASS: NPC145149
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Suberea clavata | Suberea | Aplysinellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 495.1720000000004
TPSA？: 144.54999999999998
MolLogP？: 0.5775000000000001
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np200120d |
| Homo sapiens | Coagulation factor IX | Inhibition | 5.0 | % | 10.1021/np8008013 |
| Homo sapiens | Coagulation factor XI | Inhibition | 12.0 | % | 10.1021/np8008013 |
| Staphylococcus aureus | Staphylococcus aureus | IZ | 5.0 | mm | 10.1021/np200120d |