(1R,8R,10R,12S)-4-methoxy-11,11-dimethyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadeca-2,4,6-triene-3,8,12-triol
| Internal ID | bf3b0d78-4f28-45a3-8bfc-e324675a438d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,8R,10R,12S)-4-methoxy-11,11-dimethyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadeca-2,4,6-triene-3,8,12-triol |
| SMILES (Canonical) | CC(C)C1=C(C(=C2C(=C1)C(CC3C24CCC(C3(C)C)(OC4)O)O)O)OC |
| SMILES (Isomeric) | CC(C)C1=C(C(=C2C(=C1)[C@@H](C[C@@H]3[C@]24CC[C@@](C3(C)C)(OC4)O)O)O)OC |
| InChI | InChI=1S/C21H30O5/c1-11(2)12-8-13-14(22)9-15-19(3,4)21(24)7-6-20(15,10-26-21)16(13)17(23)18(12)25-5/h8,11,14-15,22-24H,6-7,9-10H2,1-5H3/t14-,15+,20-,21+/m1/s1 |
| InChI Key | KUESBQLQDMKBNP-CALQCPNCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O5 |
| Molecular Weight | 362.50 g/mol |
| Exact Mass | 362.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (1R,8R,10R,12S)-4-methoxy-11,11-dimethyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadeca-2,4,6-triene-3,8,12-triol](https://plantaedb.com/storage/docs/compounds/2023/11/1923b160-85d4-11ee-9bc1-adb856901d4d.jpg "2D Structure of (1R,8R,10R,12S)-4-methoxy-11,11-dimethyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadeca-2,4,6-triene-3,8,12-triol")
| 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 | 99.14% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.10% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.37% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.54% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.97% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.44% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.79% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.78% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.22% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.85% | 90.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.66% | 91.07% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.60% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.05% | 97.09% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 84.80% | 95.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.94% | 95.89% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.44% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.36% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.58% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.27% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.35% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.24% | 99.23% |
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.
| Taxus cuspidata |
| PubChem | 100927424 |
| LOTUS | LTS0064946 |
| wikiData | Q105146113 |