(1aS,1bS,5aS,6aS)-1a,5a-dimethyl-3-propan-2-ylidene-1,1b,2,5,6,6a-hexahydrocyclopropa[a]inden-4-one
| Internal ID | 55e3413a-34f5-4272-9cbb-1de7f6a0f4d4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1aS,1bS,5aS,6aS)-1a,5a-dimethyl-3-propan-2-ylidene-1,1b,2,5,6,6a-hexahydrocyclopropa[a]inden-4-one |
| SMILES (Canonical) | CC(=C1CC2C(CC3C2(C3)C)(CC1=O)C)C |
| SMILES (Isomeric) | CC(=C1C[C@H]2[C@@](C[C@H]3[C@@]2(C3)C)(CC1=O)C)C |
| InChI | InChI=1S/C15H22O/c1-9(2)11-5-13-14(3,8-12(11)16)6-10-7-15(10,13)4/h10,13H,5-8H2,1-4H3/t10-,13+,14+,15+/m1/s1 |
| InChI Key | NLBIJGCDYLISQQ-KJEVXHAQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H22O |
| Molecular Weight | 218.33 g/mol |
| Exact Mass | 218.167065321 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (1aS,1bS,5aS,6aS)-1a,5a-dimethyl-3-propan-2-ylidene-1,1b,2,5,6,6a-hexahydrocyclopropa[a]inden-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/1as1bs5as6as-1a5a-dimethyl-3-propan-2-ylidene-11b2566a-hexahydrocyclopropaainden-4-one.jpg "2D Structure of (1aS,1bS,5aS,6aS)-1a,5a-dimethyl-3-propan-2-ylidene-1,1b,2,5,6,6a-hexahydrocyclopropa[a]inden-4-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 | 94.31% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.09% | 97.25% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.96% | 85.30% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.73% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.35% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.77% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.34% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.59% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.41% | 95.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.72% | 98.03% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.45% | 96.77% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.40% | 99.23% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.15% | 97.21% |
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.
| Platycarya strobilacea |
| PubChem | 163071694 |
| LOTUS | LTS0097215 |
| wikiData | Q105181253 |