9'-deoxy-8',8'-dihydroxyherbicidin B
AlkaPlorer ID: AK031994
Synonym: None
IUPAC Name: methyl (1R,3S,4R,5R,7R,9R,11S)-5-(6-aminopurin-9-yl)-1,13,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
Structure
SMILES: COC(=O)[C@@H]1CC(O)(O)[C@]2(O)O[C@@H]3[C@@H](OC)[C@H](N4C=NC5=C(N)N=CN=C54)O[C@@H]3C[C@H]2O1
InChI: InChI=1S/C18H23N5O9/c1-28-12-11-7(31-15(12)23-6-22-10-13(19)20-5-21-14(10)23)3-9-18(27,32-11)17(25,26)4-8(30-9)16(24)29-2/h5-9,11-12,15,25-27H,3-4H2,1-2H3,(H2,19,20,21)/t7-,8+,9-,11+,12-,15-,18-/m1/s1
InChIKey: AZYCCECPGKXFKD-WZBVYVGFSA-N
Reference
Herbicidin Congeners, Undecose Nucleosides from an Organic Extract of <i>Streptomyces</i> sp. L-9-10
PubChem CID: 76310273
LOTUS: LTS0092339
NPASS: NPC24589
{NPAtlas: NPA009394
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. L-9-10 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 453.4080000000002
TPSA？: 193.53
MolLogP？: -2.1901999999999946
Number of H-Donors: 4
Number of H-Acceptors: 14
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HEK293 | IC50 | 13700.0 | nM | 10.1021/np4006635 |
| Homo sapiens | MCF7 | Activity | nan | None | 10.1021/np4006635 |
| Homo sapiens | Nitric oxide synthase, inducible | Inhibition | nan | % | 10.1021/np4006635 |
| Streptomyces | Streptomyces | Activity | nan | None | 10.1021/np4006635 |
| None | Radical scavenging activity | Activity | nan | None | 10.1021/np4006635 |
| None | Unchecked | IC50 | 2400.0 | nM | 10.1021/np4006635 |
| None | Unchecked | Inhibition | 45.1 | % | 10.1021/np4006635 |
| None | Unchecked | Inhibition | 96.2 | % | 10.1021/np4006635 |