(3Z,5R,6R)-2,2,6,9-tetramethyl-5,6-dihydro-1-benzoxocine-5,8-diol
Internal ID | 09662d1f-1fdc-40bf-a5fe-c92bb01ae5e2 |
Taxonomy | Organoheterocyclic compounds > Oxocins |
IUPAC Name | (3Z,5R,6R)-2,2,6,9-tetramethyl-5,6-dihydro-1-benzoxocine-5,8-diol |
SMILES (Canonical) | CC1C(C=CC(OC2=C1C=C(C(=C2)C)O)(C)C)O |
SMILES (Isomeric) | C[C@H]1[C@@H](/C=C\C(OC2=C1C=C(C(=C2)C)O)(C)C)O |
InChI | InChI=1S/C15H20O3/c1-9-7-14-11(8-13(9)17)10(2)12(16)5-6-15(3,4)18-14/h5-8,10,12,16-17H,1-4H3/b6-5-/t10-,12-/m1/s1 |
InChI Key | BMFLYLUFZRFANY-FNSKHJIESA-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) | 49.70 Ų |
XlogP | 2.70 |
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 | 98.84% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.46% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 87.87% | 98.95% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.48% | 93.40% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.66% | 86.33% |
CHEMBL3401 | O75469 | Pregnane X receptor | 81.40% | 94.73% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.89% | 85.14% |
CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.84% | 90.24% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.44% | 96.09% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.14% | 92.94% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.05% | 95.56% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.02% | 99.15% |
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.
Helianthus annuus |
PubChem | 101933306 |
LOTUS | LTS0208089 |
wikiData | Q104938371 |