Spirostaphylotrichin U
Internal ID | 359921af-d9ca-423e-b438-0b131f2dcb0a |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
IUPAC Name | (3S,4R,5S,6Z,10S)-3,4,10-trihydroxy-2-methoxy-3-methyl-6-propylidene-2-azaspiro[4.5]dec-7-ene-1,9-dione |
SMILES (Canonical) | CCC=C1C=CC(=O)C(C12C(C(N(C2=O)OC)(C)O)O)O |
SMILES (Isomeric) | CC/C=C\1/C=CC(=O)[C@H]([C@@]12[C@H]([C@](N(C2=O)OC)(C)O)O)O |
InChI | InChI=1S/C14H19NO6/c1-4-5-8-6-7-9(16)10(17)14(8)11(18)13(2,20)15(21-3)12(14)19/h5-7,10-11,17-18,20H,4H2,1-3H3/b8-5-/t10-,11+,13+,14-/m1/s1 |
InChI Key | FFIHXENRVXVAGQ-RPHSLMEGSA-N |
Popularity | 0 references in papers |
Molecular Formula | C14H19NO6 |
Molecular Weight | 297.30 g/mol |
Exact Mass | 297.12123733 g/mol |
Topological Polar Surface Area (TPSA) | 107.00 Ų |
XlogP | -1.10 |
There are no found synonyms. |
![2D Structure of Spirostaphylotrichin U 2D Structure of Spirostaphylotrichin U](https://plantaedb.com/storage/docs/compounds/2023/11/spirostaphylotrichin-u.jpg)
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
No proven targets yet! |
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.20% | 96.09% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.57% | 83.82% |
CHEMBL2581 | P07339 | Cathepsin D | 95.47% | 98.95% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.05% | 97.25% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.63% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.11% | 95.56% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.65% | 91.11% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.53% | 90.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.25% | 94.45% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.84% | 85.14% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
Sorbus pallescens |
PubChem | 10402357 |
LOTUS | LTS0234103 |
wikiData | Q77510286 |