(1S,10R,13R,15R)-4-hydroxy-1,11,11-trimethyl-5-propan-2-yl-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one
| Internal ID | cdac448c-a9e1-496a-9c0c-fd1e4badd66b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,10R,13R,15R)-4-hydroxy-1,11,11-trimethyl-5-propan-2-yl-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one |
| SMILES (Canonical) | CC(C)C1=C(C=C2C(=C1)CCC3C2(C4C(O4)C(=O)C3(C)C)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2([C@@H]4[C@@H](O4)C(=O)C3(C)C)C)O |
| InChI | InChI=1S/C20H26O3/c1-10(2)12-8-11-6-7-15-19(3,4)17(22)16-18(23-16)20(15,5)13(11)9-14(12)21/h8-10,15-16,18,21H,6-7H2,1-5H3/t15-,16-,18-,20+/m0/s1 |
| InChI Key | ZDWOZEMRGOSWOF-ZTTFOMCMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O3 |
| Molecular Weight | 314.40 g/mol |
| Exact Mass | 314.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of (1S,10R,13R,15R)-4-hydroxy-1,11,11-trimethyl-5-propan-2-yl-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/bb290fe0-8709-11ee-9bed-1fd5976858ae.jpg "2D Structure of (1S,10R,13R,15R)-4-hydroxy-1,11,11-trimethyl-5-propan-2-yl-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-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 | 99.55% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.66% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.11% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.86% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.77% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.29% | 93.99% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.04% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.93% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.96% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.24% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.11% | 100.00% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 84.53% | 93.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.55% | 89.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.29% | 93.18% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.00% | 93.03% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.60% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.20% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.15% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.81% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.10% | 91.19% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.80% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.66% | 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.
| Chamaecyparis obtusa |
| PubChem | 162916763 |
| LOTUS | LTS0274344 |
| wikiData | Q105372811 |