(1aS,2R,7S,7aS)-2,5-dimethyl-7-propan-2-yl-7,7a-dihydro-1aH-naphtho[2,3-b]oxirene-2,4-diol
| Internal ID | 4ad2c6bd-8c51-497c-81d6-2746b2d04819 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1aS,2R,7S,7aS)-2,5-dimethyl-7-propan-2-yl-7,7a-dihydro-1aH-naphtho[2,3-b]oxirene-2,4-diol |
| SMILES (Canonical) | CC1=CC2=C(C=C1O)C(C3C(C2C(C)C)O3)(C)O |
| SMILES (Isomeric) | CC1=CC2=C(C=C1O)[C@@]([C@@H]3[C@H]([C@H]2C(C)C)O3)(C)O |
| InChI | InChI=1S/C15H20O3/c1-7(2)12-9-5-8(3)11(16)6-10(9)15(4,17)14-13(12)18-14/h5-7,12-14,16-17H,1-4H3/t12-,13-,14-,15+/m0/s1 |
| InChI Key | GGTIEBALGLTQQF-ZQDZILKHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 g/mol |
| Exact Mass | 248.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 53.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (1aS,2R,7S,7aS)-2,5-dimethyl-7-propan-2-yl-7,7a-dihydro-1aH-naphtho[2,3-b]oxirene-2,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1as2r7s7as-25-dimethyl-7-propan-2-yl-77a-dihydro-1ah-naphtho23-boxirene-24-diol.jpg "2D Structure of (1aS,2R,7S,7aS)-2,5-dimethyl-7-propan-2-yl-7,7a-dihydro-1aH-naphtho[2,3-b]oxirene-2,4-diol")
| 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 | 97.81% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.49% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.36% | 99.15% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.60% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.40% | 89.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.23% | 93.18% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.71% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.68% | 91.49% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.39% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.99% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.33% | 85.14% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.04% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.97% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.34% | 93.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.27% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.24% | 90.71% |
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.
| Taiwania cryptomerioides |
| PubChem | 101434802 |
| LOTUS | LTS0133894 |
| wikiData | Q105008317 |