(1aS,7aS,7bS)-1,1,4,7-tetramethyl-2,3,7a,7b-tetrahydro-1aH-cyclopropa[e]azulen-5-one
| Internal ID | 31de61ca-cf91-4191-a827-f9efb5f41083 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Aromadendrane sesquiterpenoids > 5,10-cycloaromadendrane sesquiterpenoids |
| IUPAC Name | (1aS,7aS,7bS)-1,1,4,7-tetramethyl-2,3,7a,7b-tetrahydro-1aH-cyclopropa[e]azulen-5-one |
| SMILES (Canonical) | CC1=C2C(C3C(C3(C)C)CC1)C(=CC2=O)C |
| SMILES (Isomeric) | CC1=C2[C@@H]([C@@H]3[C@@H](C3(C)C)CC1)C(=CC2=O)C |
| InChI | InChI=1S/C15H20O/c1-8-5-6-10-14(15(10,3)4)13-9(2)7-11(16)12(8)13/h7,10,13-14H,5-6H2,1-4H3/t10-,13-,14-/m0/s1 |
| InChI Key | ITPIONJPPNGUJE-BPNCWPANSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O |
| Molecular Weight | 216.32 g/mol |
| Exact Mass | 216.151415257 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (1aS,7aS,7bS)-1,1,4,7-tetramethyl-2,3,7a,7b-tetrahydro-1aH-cyclopropa[e]azulen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/1as7as7bs-1147-tetramethyl-237a7b-tetrahydro-1ah-cyclopropaeazulen-5-one.jpg "2D Structure of (1aS,7aS,7bS)-1,1,4,7-tetramethyl-2,3,7a,7b-tetrahydro-1aH-cyclopropa[e]azulen-5-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 |
|---|---|---|---|---|
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.55% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.15% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.99% | 96.43% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.43% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.79% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.82% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.53% | 93.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.69% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.62% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.23% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.09% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.61% | 95.89% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.49% | 94.78% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.24% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.07% | 93.40% |
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.
| Bazzania japonica |
| Physalis angulata |
| Physalis lagascae |
| Physalis minima |
| PubChem | 162993307 |
| LOTUS | LTS0089179 |
| wikiData | Q105234999 |