(1aR,6R,7R,7aR,7bR)-6-hydroxy-7a-(hydroxymethyl)-7-methyl-1a-prop-1-en-2-yl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one
| Internal ID | b42036e3-2119-4669-b0c0-ebc8f253112b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1aR,6R,7R,7aR,7bR)-6-hydroxy-7a-(hydroxymethyl)-7-methyl-1a-prop-1-en-2-yl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one |
| SMILES (Canonical) | CC1C(CCC2=CC(=O)C3(C(C12CO)O3)C(=C)C)O |
| SMILES (Isomeric) | C[C@H]1[C@@H](CCC2=CC(=O)[C@]3([C@@H]([C@]12CO)O3)C(=C)C)O |
| InChI | InChI=1S/C15H20O4/c1-8(2)15-12(18)6-10-4-5-11(17)9(3)14(10,7-16)13(15)19-15/h6,9,11,13,16-17H,1,4-5,7H2,2-3H3/t9-,11+,13+,14+,15-/m0/s1 |
| InChI Key | ABHMZEUMNLKTON-OANMRLRGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.32 g/mol |
| Exact Mass | 264.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 70.10 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of (1aR,6R,7R,7aR,7bR)-6-hydroxy-7a-(hydroxymethyl)-7-methyl-1a-prop-1-en-2-yl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7109d080-84b2-11ee-9794-4db196d8efd8.jpg "2D Structure of (1aR,6R,7R,7aR,7bR)-6-hydroxy-7a-(hydroxymethyl)-7-methyl-1a-prop-1-en-2-yl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-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 | 97.77% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.42% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.13% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.55% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.43% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.12% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.11% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.93% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.20% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.18% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.09% | 94.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.41% | 93.04% |
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.
| There are no matching plants. |
| PubChem | 44131325 |
| LOTUS | LTS0101330 |
| wikiData | Q77625351 |