Spongosine
AlkaPlorer ID: AK027209
Synonym: None
IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-2-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Structure
SMILES: COC1=NC(N)=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=N1
InChI: InChI=1S/C11H15N5O5/c1-20-11-14-8(12)5-9(15-11)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-/m1/s1
InChIKey: AJACDNCVEGIBNA-KQYNXXCUSA-N
Reference
PubChem CID: 9796227
CAS: 24723-77-1
LOTUS: LTS0189920
SuperNatural Ⅲ: SN0006912-03
NPASS: NPC189068
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vibrio harveyi | Vibrio | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 297.271
TPSA？: 148.77000000000004
MolLogP？: -1.9714
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np50112a018 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np50112a018 |
| Mus musculus | Mus musculus | ED50 | 12.5 | mg.kg-1 | 10.1021/jm00140a007 |
| Mus musculus | Mus musculus | ED50 | 15.3 | mg.kg-1 | 10.1021/jm00140a007 |
| Mus musculus | RAW264.7 | Activity | nan | None | 10.1021/np5009762 |
| Mus musculus | RAW264.7 | Inhibition | 60.0 | % | 10.1021/np5009762 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Activity | nan | None | 10.1021/np50112a018 |
| Rattus norvegicus | Rattus norvegicus | BP | -41.0 | % | 10.1021/jm00140a007 |
| Rattus norvegicus | Rattus norvegicus | HR | -25.0 | % | 10.1021/jm00140a007 |
| Rattus norvegicus | Rattus norvegicus | Inhibition | 25.0 | % | 10.1021/jm00140a007 |
| Rattus norvegicus | Rattus norvegicus | Inhibition | 56.0 | % | 10.1021/jm00140a007 |
| Rattus norvegicus | Rattus norvegicus | Inhibition | 57.0 | % | 10.1021/jm00140a007 |
| Saccharomyces pastorianus | Saccharomyces pastorianus | Activity | nan | None | 10.1021/np50112a018 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np50112a018 |