2,4a-beta,5,6,7,8,9,9a-beta-Octahydro-3,5,5,9-beta-tetramethyl-1H-benzocyclohepten-9-ol
| Internal ID | 2cfe0452-4cc1-4d8b-b415-05424609f470 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Himachalane and lippifoliane sesquiterpenoids |
| IUPAC Name | 2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulen-5-ol |
| SMILES (Canonical) | CC1=CC2C(CC1)C(CCCC2(C)C)(C)O |
| SMILES (Isomeric) | CC1=CC2C(CC1)C(CCCC2(C)C)(C)O |
| InChI | InChI=1S/C15H26O/c1-11-6-7-12-13(10-11)14(2,3)8-5-9-15(12,4)16/h10,12-13,16H,5-9H2,1-4H3 |
| InChI Key | BBAMLNIPVMLTSQ-UHFFFAOYSA-N |
| Popularity | 0 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 | 3.50 |
| 1H-Benzocyclohepten-9-ol, 2,4a-.beta.,5,6,7,8,9,9a-.beta.-octahydro-3,5,5,9-.beta.-tetramethyl- |
| 2,4a-.beta.,5,6,7,8,9,9a-.beta.-Octahydro-3,5,5,9-.beta.-tetramethyl-1H-benzocyclohepten-9-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.15% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.43% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.95% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.73% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.39% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.66% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.05% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.34% | 97.79% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.98% | 96.43% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.72% | 100.00% |
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.
| Abies alba |
| Schistostephium crataegifolium |
| PubChem | 3504252 |
| LOTUS | LTS0214945 |
| wikiData | Q104922601 |