(1R,8R,9R,10S,15S)-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4,9,15-tetrol
| Internal ID | c335549c-482e-4548-9de5-5c8a7bce09ab |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,8R,9R,10S,15R)-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4,9,15-tetrol |
| SMILES (Canonical) | CC(C)C1=C(C(=C2C(=C1)C3C(C4C2(CCCC4(C)C)C(O3)O)O)O)O |
| SMILES (Isomeric) | CC(C)C1=C(C(=C2C(=C1)[C@@H]3[C@@H]([C@@H]4[C@@]2(CCCC4(C)C)[C@@H](O3)O)O)O)O |
| InChI | InChI=1S/C20H28O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-18,21-24H,5-7H2,1-4H3/t15-,16+,17-,18+,20-/m0/s1 |
| InChI Key | BIRAIVMEZFVLJK-VBRUWADQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O5 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 3.20 |
| 165074-00-0 |
| AKOS032962166 |
![2D Structure of (1R,8R,9R,10S,15S)-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4,9,15-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/5baa4fe0-857e-11ee-8a22-9bb3a69febe1.jpg "2D Structure of (1R,8R,9R,10S,15S)-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4,9,15-tetrol")
| 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 | 99.49% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.78% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.32% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.01% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.26% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.67% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.63% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.54% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.87% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.00% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.71% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.30% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.08% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.85% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.85% | 86.33% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.55% | 99.18% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.08% | 91.07% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.74% | 99.15% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.62% | 97.14% |
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.
| Salvia aspera |
| PubChem | 101922027 |
| LOTUS | LTS0194160 |
| wikiData | Q104936725 |