(1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
| Internal ID | 3e22b6a4-1d6f-4b07-962c-687471d166e4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Aromadendrane sesquiterpenoids > 5,10-cycloaromadendrane sesquiterpenoids |
| IUPAC Name | (1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol |
| SMILES (Canonical) | CC1CCC2C1C3C(C3(C)C)CCC2(C)O |
| SMILES (Isomeric) | C[C@H]1CC[C@H]2[C@@H]1[C@@H]3[C@H](C3(C)C)CC[C@]2(C)O |
| InChI | InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10-,11+,12+,13-,15-/m0/s1 |
| InChI Key | AYXPYQRXGNDJFU-DMLGPZFASA-N |
| Popularity | 273 references in papers |
| Molecular Formula | C15H26O |
| Molecular Weight | 222.37 g/mol |
| Exact Mass | 222.198365449 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol](https://plantaedb.com/storage/docs/compounds/2023/11/dae970e0-85f2-11ee-8590-d97b9e056f33.jpg "2D Structure of (1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.15% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.04% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.16% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.08% | 82.69% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.41% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.36% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.11% | 89.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.00% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.94% | 96.77% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.78% | 95.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.35% | 92.94% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.69% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.42% | 90.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.53% | 96.38% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.13% | 96.43% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.85% | 98.99% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.58% | 86.00% |
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.
| Thymus martinezii |
| PubChem | 12304981 |
| LOTUS | LTS0063651 |
| wikiData | Q104921483 |