(4R,5S)-4-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydronaphtho[2,3-b]furan-9(4H)-one
| Internal ID | 36a92f92-a3de-45b5-a0a4-a05c8fe42d5c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | (4R,5S)-4-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-9-one |
| SMILES (Canonical) | CC1CCCC2=C1C(C3=C(C2=O)OC=C3C)(C)O |
| SMILES (Isomeric) | C[C@H]1CCCC2=C1[C@@](C3=C(C2=O)OC=C3C)(C)O |
| InChI | InChI=1S/C15H18O3/c1-8-5-4-6-10-11(8)15(3,17)12-9(2)7-18-14(12)13(10)16/h7-8,17H,4-6H2,1-3H3/t8-,15+/m0/s1 |
| InChI Key | VNNQNPHIASWXBS-VXJOIVPMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H18O3 |
| Molecular Weight | 246.30 g/mol |
| Exact Mass | 246.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 50.40 Ų |
| XlogP | 2.30 |
| CHEMBL450368 |
| SCHEMBL8673788 |
| (4R,5S)-4-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-9-one |
| InChI=1/C15H18O3/c1-8-5-4-6-10-11(8)15(3,17)12-9(2)7-18-14(12)13(10)16/h7-8,17H,4-6H2,1-3H3/t8-,15+/m0/s |
| naphtho[2,3-b]furan-9(4H)-one, 5,6,7,8-tetrahydro-4-hydroxy-3,4,5-trimethyl-, (4R,5S)- |
![2D Structure of (4R,5S)-4-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydronaphtho[2,3-b]furan-9(4H)-one](https://plantaedb.com/storage/docs/compounds/2023/11/4r5s-4-hydroxy-345-trimethyl-5678-tetrahydronaphtho23-bfuran-94h-one.jpg "2D Structure of (4R,5S)-4-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydronaphtho[2,3-b]furan-9(4H)-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.99% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.37% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.29% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.25% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.84% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.80% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.31% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.64% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.67% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.86% | 94.73% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.71% | 93.04% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.06% | 96.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.99% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.70% | 96.43% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.49% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.29% | 95.89% |
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.
| Dendrophorbium balsapampae |
| Ligularia cyathiceps |
| Ligularia virgaurea |
| Psacalium decompositum |
| PubChem | 642921 |
| LOTUS | LTS0109974 |
| wikiData | Q103813432 |