(1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[h]azulen-4a-ol
| Internal ID | a238d552-ea0e-433b-b233-e25120439917 |
| 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-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[h]azulen-4a-ol |
| SMILES (Canonical) | CC1CCC2(C1C3C(C3(C)C)CCC2C)O |
| SMILES (Isomeric) | C[C@H]1CC[C@]2([C@@H]1[C@H]3[C@H](C3(C)C)CC[C@@H]2C)O |
| InChI | InChI=1S/C15H26O/c1-9-7-8-15(16)10(2)5-6-11-13(12(9)15)14(11,3)4/h9-13,16H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,15-/m0/s1 |
| InChI Key | QWRTXOOFEHOROQ-IBHARUPASA-N |
| Popularity | 9 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 | 3.90 |
| There are no found synonyms. |
![2D Structure of (1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[h]azulen-4a-ol](https://plantaedb.com/storage/docs/compounds/2023/11/8f97c0d0-8561-11ee-8ad0-51f2215f85ea.jpg "2D Structure of (1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[h]azulen-4a-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 | 92.44% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.16% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.31% | 92.94% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.45% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.65% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.15% | 89.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.55% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.00% | 90.17% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.86% | 97.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.48% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.03% | 95.50% |
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.
| Baccharis sagittalis |
| Melaleuca leucadendra |
| Renealmia chrysotricha |
| PubChem | 154497153 |
| LOTUS | LTS0158737 |
| wikiData | Q105229354 |