(1aR,4R,4aS,7R,7aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene
| Internal ID | 7739f19f-609b-424d-998f-17ac4773cd81 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Aromadendrane sesquiterpenoids > 5,10-cycloaromadendrane sesquiterpenoids |
| IUPAC Name | (1aR,4R,4aS,7R,7aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene |
| SMILES (Canonical) | CC1CCC2C(C2(C)C)C3C1CCC3C |
| SMILES (Isomeric) | C[C@@H]1CC[C@@H]2[C@@H](C2(C)C)[C@H]3[C@H]1CC[C@H]3C |
| InChI | InChI=1S/C15H26/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12-,13-,14-/m1/s1 |
| InChI Key | UIDUJXXQMGYOIN-BUCHIQEDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26 |
| Molecular Weight | 206.37 g/mol |
| Exact Mass | 206.203450829 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of (1aR,4R,4aS,7R,7aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene](https://plantaedb.com/storage/docs/compounds/2023/11/1ar4r4as7r7ar7bs-1147-tetramethyl-1a2344a5677a7b-decahydrocyclopropaeazulene.jpg "2D Structure of (1aR,4R,4aS,7R,7aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene")
| 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 | 91.46% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.48% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.30% | 97.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 85.90% | 86.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.43% | 96.77% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.93% | 92.94% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.82% | 96.38% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.64% | 89.05% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.82% | 90.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.31% | 82.69% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.27% | 99.18% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.04% | 94.78% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.92% | 94.80% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.73% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.54% | 100.00% |
| CHEMBL238 | Q01959 | Dopamine transporter | 81.50% | 95.88% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.31% | 91.11% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.09% | 98.99% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.06% | 96.43% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 81.02% | 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.
| Rhamnus pallasii |
| PubChem | 162976506 |
| LOTUS | LTS0267732 |
| wikiData | Q105273286 |