(1aR,4S,4aS,7R,7aR,7bS)-4-(hydroxymethyl)-1,1,7-trimethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
| Internal ID | 4da08460-4d7e-4a69-b3b0-4c77c3272453 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Aromadendrane sesquiterpenoids > 5,10-cycloaromadendrane sesquiterpenoids |
| IUPAC Name | (1aR,4S,4aS,7R,7aR,7bS)-4-(hydroxymethyl)-1,1,7-trimethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol |
| SMILES (Canonical) | CC1CCC2C1C3C(C3(C)C)CCC2(CO)O |
| SMILES (Isomeric) | C[C@@H]1CC[C@H]2[C@H]1[C@H]3[C@H](C3(C)C)CC[C@]2(CO)O |
| InChI | InChI=1S/C15H26O2/c1-9-4-5-10-12(9)13-11(14(13,2)3)6-7-15(10,17)8-16/h9-13,16-17H,4-8H2,1-3H3/t9-,10+,11-,12+,13-,15-/m1/s1 |
| InChI Key | VVQCFCMDMCMZBG-RGOPTCMMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H26O2 |
| Molecular Weight | 238.37 g/mol |
| Exact Mass | 238.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (1aR,4S,4aS,7R,7aR,7bS)-4-(hydroxymethyl)-1,1,7-trimethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol](https://plantaedb.com/storage/docs/compounds/2023/11/9eb31a80-868a-11ee-bdad-6f9147b8dfdf.jpg "2D Structure of (1aR,4S,4aS,7R,7aR,7bS)-4-(hydroxymethyl)-1,1,7-trimethyl-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.50% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.07% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.98% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.04% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.88% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.65% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.13% | 91.11% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 88.43% | 89.05% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.82% | 82.69% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.79% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.76% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.44% | 97.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.25% | 86.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.91% | 95.50% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.61% | 97.64% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.24% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.87% | 95.89% |
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.
| Epicharis densiflora |
| Pulicaria arabica subsp. hispanica |
| PubChem | 162857819 |
| LOTUS | LTS0095086 |
| wikiData | Q105297797 |