5-Hydroxy-3-(4-methoxycyclohexen-1-yl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
Internal ID | affa8c24-25fb-4067-986e-527544c747c4 |
Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Pyranochromenes |
IUPAC Name | 5-hydroxy-3-(4-methoxycyclohexen-1-yl)-8,8-dimethylpyrano[2,3-h]chromen-4-one |
SMILES (Canonical) | CC1(C=CC2=C(O1)C=C(C3=C2OC=C(C3=O)C4=CCC(CC4)OC)O)C |
SMILES (Isomeric) | CC1(C=CC2=C(O1)C=C(C3=C2OC=C(C3=O)C4=CCC(CC4)OC)O)C |
InChI | InChI=1S/C21H22O5/c1-21(2)9-8-14-17(26-21)10-16(22)18-19(23)15(11-25-20(14)18)12-4-6-13(24-3)7-5-12/h4,8-11,13,22H,5-7H2,1-3H3 |
InChI Key | NXKSQMHYSCKYIQ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H22O5 |
Molecular Weight | 354.40 g/mol |
Exact Mass | 354.14672380 g/mol |
Topological Polar Surface Area (TPSA) | 65.00 Ų |
XlogP | 3.60 |
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 | 99.66% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 95.57% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.41% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.64% | 89.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.73% | 96.09% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.37% | 94.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.37% | 97.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.98% | 95.89% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.92% | 99.23% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.82% | 93.99% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.77% | 94.75% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.67% | 95.56% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.13% | 96.77% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.48% | 100.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.06% | 90.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.81% | 92.62% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.58% | 99.15% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.37% | 91.19% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.34% | 95.71% |
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.
Millettia pachycarpa |
PubChem | 162963490 |
LOTUS | LTS0198119 |
wikiData | Q105187244 |