(1aS,4S,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[h]azulen-7-ol
| Internal ID | e2a644b6-d256-492b-b59d-e2f2cd48323a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Aromadendrane sesquiterpenoids > 5,10-cycloaromadendrane sesquiterpenoids |
| IUPAC Name | (1aS,4S,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[h]azulen-7-ol |
| SMILES (Canonical) | CC1CCC2C(C2(C)C)C3C1CCC3(C)O |
| SMILES (Isomeric) | C[C@H]1CC[C@H]2[C@H](C2(C)C)[C@@H]3[C@H]1CC[C@@]3(C)O |
| InChI | InChI=1S/C15H26O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12-,13-,15+/m0/s1 |
| InChI Key | HEONDCYMGTYQCB-XTXFXJEVSA-N |
| Popularity | 1 reference 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 | 3.90 |
| There are no found synonyms. |
![2D Structure of (1aS,4S,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[h]azulen-7-ol](https://plantaedb.com/storage/docs/compounds/2023/11/0d42c150-85db-11ee-8d8a-c1659d012eb7.jpg "2D Structure of (1aS,4S,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[h]azulen-7-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 | 93.52% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.99% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.86% | 82.69% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.81% | 95.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.46% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.25% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.77% | 97.25% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 84.22% | 97.64% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.15% | 91.11% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.23% | 89.05% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.16% | 94.78% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.40% | 98.99% |
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.
| Sideritis hirsuta |
| PubChem | 162954041 |
| LOTUS | LTS0214021 |
| wikiData | Q105026958 |