None
AlkaPlorer ID: AK324380
Synonym: None
IUPAC Name: (2S)-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-hydroxy-3-(4-methoxyphenyl)propanamide
Structure
SMILES: COC1=CC=C(C[C@H](O)C(O)=N[C@H]2[C@@H](O)[C@H](N3C=NC4=C(N(C)C)N=CN=C43)O[C@@H]2CO)C=C1
InChI: InChI=1S/C22H28N6O6/c1-27(2)19-17-20(24-10-23-19)28(11-25-17)22-18(31)16(15(9-29)34-22)26-21(32)14(30)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,29-31H,8-9H2,1-3H3,(H,26,32)/t14-,15+,16+,18+,22+/m0/s1
InChIKey: MFLDHZIXDZKZTL-NVWDDTSBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. PU-14G | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 472.5020000000002
TPSA？: 158.57999999999998
MolLogP？: 0.0802000000000005
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | Activity | None | None | 10.1021/acs.jnatprod.8b00720 |
| Homo sapiens | PC-3 | Activity | None | None | 10.1021/acs.jnatprod.8b00720 |