(1S,10R,12R)-3,12-dihydroxy-4-methoxy-11,11-dimethyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadeca-2,4,6-trien-8-one
| Internal ID | cedb04bf-5764-469c-a47d-98e2f7809b64 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,10R,12R)-3,12-dihydroxy-4-methoxy-11,11-dimethyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadeca-2,4,6-trien-8-one |
| SMILES (Canonical) | CC(C)C1=C(C(=C2C(=C1)C(=O)CC3C24CCC(C3(C)C)(OC4)O)O)OC |
| SMILES (Isomeric) | CC(C)C1=C(C(=C2C(=C1)C(=O)C[C@@H]3[C@@]24CC[C@](C3(C)C)(OC4)O)O)OC |
| InChI | InChI=1S/C21H28O5/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/h8,11,15,23-24H,6-7,9-10H2,1-5H3/t15-,20-,21+/m0/s1 |
| InChI Key | SUDWEJIYLMEIED-ONGXBYRLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H28O5 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (1S,10R,12R)-3,12-dihydroxy-4-methoxy-11,11-dimethyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadeca-2,4,6-trien-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/989e2a10-8631-11ee-9cfa-150866b5498d.jpg "2D Structure of (1S,10R,12R)-3,12-dihydroxy-4-methoxy-11,11-dimethyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadeca-2,4,6-trien-8-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.23% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.62% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.47% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.23% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.13% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.61% | 96.77% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.10% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.92% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.43% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.07% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.77% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.77% | 94.75% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.45% | 98.75% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.43% | 96.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.30% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.01% | 85.11% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.59% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.32% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.28% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.23% | 93.31% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.21% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.75% | 97.25% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.65% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.60% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.87% | 93.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.49% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.44% | 97.09% |
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 baccata |
| PubChem | 163190630 |
| LOTUS | LTS0112374 |
| wikiData | Q105260839 |