7-[[(1R,4aR,6R,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]-6-methoxychromen-2-one
| Internal ID | f68598a0-6d59-4725-855f-d34955b6b564 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-[[(1R,4aR,6R,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]-6-methoxychromen-2-one |
| SMILES (Canonical) | CC1=CCC2C(C(CCC2(C1COC3=C(C=C4C=CC(=O)OC4=C3)OC)C)O)(C)C |
| SMILES (Isomeric) | CC1=CC[C@@H]2[C@@]([C@@H]1COC3=C(C=C4C=CC(=O)OC4=C3)OC)(CC[C@H](C2(C)C)O)C |
| InChI | InChI=1S/C25H32O5/c1-15-6-8-21-24(2,3)22(26)10-11-25(21,4)17(15)14-29-20-13-18-16(12-19(20)28-5)7-9-23(27)30-18/h6-7,9,12-13,17,21-22,26H,8,10-11,14H2,1-5H3/t17-,21+,22-,25-/m1/s1 |
| InChI Key | UHOOGCXWXYNESM-UFFXRUGOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H32O5 |
| Molecular Weight | 412.50 g/mol |
| Exact Mass | 412.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of 7-[[(1R,4aR,6R,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]-6-methoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/80966d50-8698-11ee-b5e9-f9fdc2b97401.jpg "2D Structure of 7-[[(1R,4aR,6R,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]-6-methoxychromen-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL220 | P22303 | Acetylcholinesterase | 96.48% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.28% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.76% | 91.11% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 92.48% | 85.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.27% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.06% | 93.99% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.60% | 96.43% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.25% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.18% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.35% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.35% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.12% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.10% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.99% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.81% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.48% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.22% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.84% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.68% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.24% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.89% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.21% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.73% | 97.25% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.68% | 89.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.41% | 100.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.12% | 94.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.06% | 98.75% |
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.
| Artemisia persica |
| PubChem | 162947598 |
| LOTUS | LTS0081319 |
| wikiData | Q105273020 |