Herbicidin F
AlkaPlorer ID: AK035146
Synonym: '', 'Herbicidin F', "8'-epi-herbicidin F"
IUPAC Name: methyl (1R,3S,4R,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,12-dihydroxy-4-methoxy-13-[(E)-2-methylbut-2-enoyl]oxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
Structure
SMILES: C/C=C(\C)C(=O)O[C@H]1[C@H](O)[C@@H](C(=O)OC)O[C@@H]2C[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OC)[C@H]3O[C@]21O
InChI: InChI=1S/C23H29N5O10/c1-5-9(2)21(30)37-17-13(29)15(22(31)34-4)36-11-6-10-14(38-23(11,17)32)16(33-3)20(35-10)28-8-27-12-18(24)25-7-26-19(12)28/h5,7-8,10-11,13-17,20,29,32H,6H2,1-4H3,(H2,24,25,26)/b9-5+/t10-,11-,13-,14+,15+,16-,17+,20-,23-/m1/s1
InChIKey: PXURTMJWRXVZEJ-SYDSVXEMSA-N
Reference
Herbicidin Congeners, Undecose Nucleosides from an Organic Extract of <i>Streptomyces</i> sp. L-9-10
PubChem CID: 6440493
CAS: 72283-61-5
LOTUS: LTS0128191
SuperNatural Ⅲ: SN0298050-08
NPASS: NPC5802
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: 535.5100000000002
TPSA？: 199.6
MolLogP？: -1.0222999999999962
Number of H-Donors: 3
Number of H-Acceptors: 15
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HEK293 | IC50 | 2300.0 | 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 | 500.0 | nM | 10.1021/np4006635 |
| None | Unchecked | Inhibition | 59.8 | % | 10.1021/np4006635 |
| None | Unchecked | Inhibition | 83.4 | % | 10.1021/np4006635 |