Pseudaboydin B
Internal ID | c963f101-577c-4423-911e-43ac21b5f643 |
Taxonomy | Organoheterocyclic compounds > Benzofurans > Benzofuranones |
IUPAC Name | (3R)-6-hydroxy-3-methyl-3-(4-methylpentyl)-2-benzofuran-1-one |
SMILES (Canonical) | CC(C)CCCC1(C2=C(C=C(C=C2)O)C(=O)O1)C |
SMILES (Isomeric) | CC(C)CCC[C@@]1(C2=C(C=C(C=C2)O)C(=O)O1)C |
InChI | InChI=1S/C15H20O3/c1-10(2)5-4-8-15(3)13-7-6-11(16)9-12(13)14(17)18-15/h6-7,9-10,16H,4-5,8H2,1-3H3/t15-/m1/s1 |
InChI Key | GPIRSXJJDGTHNR-OAHLLOKOSA-N |
Popularity | 0 references in papers |
Molecular Formula | C15H20O3 |
Molecular Weight | 248.32 g/mol |
Exact Mass | 248.14124450 g/mol |
Topological Polar Surface Area (TPSA) | 46.50 Ų |
XlogP | 4.20 |
There are no found synonyms. |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.85% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.68% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.50% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.77% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.13% | 86.33% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.44% | 94.73% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.52% | 90.71% |
CHEMBL236 | P41143 | Delta opioid receptor | 86.53% | 99.35% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 85.92% | 91.49% |
CHEMBL1907 | P15144 | Aminopeptidase N | 84.92% | 93.31% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.08% | 89.00% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.07% | 82.69% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.03% | 93.56% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.72% | 99.15% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.07% | 85.11% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.27% | 99.17% |
CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.44% | 80.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.24% | 90.00% |
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.
Grindelia hirsutula |
PubChem | 139588559 |
LOTUS | LTS0215432 |
wikiData | Q105195241 |