(1R,2S,3R,6R,7R,9S,10S,11S,13S,14S)-3,7,10-Trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-6,9,14-triol
| Internal ID | 877a711d-a787-4af8-9e96-4bab7cbad939 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1R,2S,3R,6R,7R,9S,10S,11S,13S,14S)-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-6,9,14-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H32O4/c1-10(2)12-8-13-16(4)9-19(22)17(12,5)20(13,23)15(24-19)14-11(3)6-7-18(14,16)21/h10-15,21-23H,6-9H2,1-5H3/t11-,12+,13+,14+,15-,16-,17-,18-,19+,20-/m1/s1 |
| InChI Key | YDKWKCQTFWTPEG-FCWXTNMASA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H32O4 |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 2.30 |
| (1R,2S,3R,6R,7R,9S,10S,11S,13S,14S)-3,7,10-Trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-6,9,14-triol |
![2D Structure of (1R,2S,3R,6R,7R,9S,10S,11S,13S,14S)-3,7,10-Trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-6,9,14-triol](https://plantaedb.com/storage/docs/compounds/2023/11/d0f43b20-8563-11ee-aa67-c1744c2f6bb3.jpg "2D Structure of (1R,2S,3R,6R,7R,9S,10S,11S,13S,14S)-3,7,10-Trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-6,9,14-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 |
|---|---|---|---|---|
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.53% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.62% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.64% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.88% | 82.69% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.98% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.48% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.51% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.64% | 96.21% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 86.26% | 99.18% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.72% | 97.14% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.85% | 95.58% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.70% | 93.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.64% | 95.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.54% | 96.47% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 83.27% | 98.05% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.14% | 89.05% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.73% | 98.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.66% | 95.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.23% | 95.50% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.08% | 97.64% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.63% | 94.75% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.56% | 97.79% |
| CHEMBL238 | Q01959 | Dopamine transporter | 80.33% | 95.88% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.21% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.13% | 91.11% |
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.
| Persea indica |
| PubChem | 21672104 |
| LOTUS | LTS0212282 |
| wikiData | Q105346791 |