(1aR,4S,4aS,7S,7aS,7bS)-4-hydroxy-4-(hydroxymethyl)-1,1,7-trimethyl-1a,2,3,4a,5,7,7a,7b-octahydrocyclopropa[e]azulen-6-one
| Internal ID | e3cbab76-0104-44e7-8bd9-fb37a0154f13 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Aromadendrane sesquiterpenoids > 5,10-cycloaromadendrane sesquiterpenoids |
| IUPAC Name | (1aR,4S,4aS,7S,7aS,7bS)-4-hydroxy-4-(hydroxymethyl)-1,1,7-trimethyl-1a,2,3,4a,5,7,7a,7b-octahydrocyclopropa[e]azulen-6-one |
| SMILES (Canonical) | CC1C2C(CC1=O)C(CCC3C2C3(C)C)(CO)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]2[C@H](CC1=O)[C@@](CC[C@@H]3[C@H]2C3(C)C)(CO)O |
| InChI | InChI=1S/C15H24O3/c1-8-11(17)6-10-12(8)13-9(14(13,2)3)4-5-15(10,18)7-16/h8-10,12-13,16,18H,4-7H2,1-3H3/t8-,9-,10+,12-,13-,15-/m1/s1 |
| InChI Key | YKEHNOIZROQZFO-JMDDESECSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O3 |
| Molecular Weight | 252.35 g/mol |
| Exact Mass | 252.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of (1aR,4S,4aS,7S,7aS,7bS)-4-hydroxy-4-(hydroxymethyl)-1,1,7-trimethyl-1a,2,3,4a,5,7,7a,7b-octahydrocyclopropa[e]azulen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/1c711630-82b3-11ee-a8ad-c31262f0ce5c.jpg "2D Structure of (1aR,4S,4aS,7S,7aS,7bS)-4-hydroxy-4-(hydroxymethyl)-1,1,7-trimethyl-1a,2,3,4a,5,7,7a,7b-octahydrocyclopropa[e]azulen-6-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 | 95.29% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.49% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.38% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.57% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.84% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.68% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.97% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.98% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.46% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.80% | 96.77% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.79% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.88% | 95.89% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.43% | 95.62% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.39% | 89.05% |
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.
| Dysoxylum densiflorum |
| PubChem | 102027802 |
| LOTUS | LTS0203560 |
| wikiData | Q105349630 |