(4aR)-3,5,5-trimethyl-9-methylidene-2,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene
| Internal ID | 4ce63938-7bd3-421c-8c07-1788a2f91319 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Himachalane and lippifoliane sesquiterpenoids |
| IUPAC Name | (4aR)-3,5,5-trimethyl-9-methylidene-2,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene |
| SMILES (Canonical) | CC1=CC2C(CC1)C(=C)CCCC2(C)C |
| SMILES (Isomeric) | CC1=C[C@@H]2C(CC1)C(=C)CCCC2(C)C |
| InChI | InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,13-14H,2,5-9H2,1,3-4H3/t13?,14-/m1/s1 |
| InChI Key | ZJSIKVDEOWWVEH-ARLHGKGLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24 |
| Molecular Weight | 204.35 g/mol |
| Exact Mass | 204.187800766 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (4aR)-3,5,5-trimethyl-9-methylidene-2,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene](https://plantaedb.com/storage/docs/compounds/2023/11/4ar-355-trimethyl-9-methylidene-24a6789a-hexahydro-1h-benzo7annulene.jpg "2D Structure of (4aR)-3,5,5-trimethyl-9-methylidene-2,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene")
| 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 | 96.37% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.22% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.64% | 100.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 88.65% | 86.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.00% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.99% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.02% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.64% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.46% | 96.43% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.65% | 96.09% |
| CHEMBL3238 | P23786 | Carnitine palmitoyltransferase 2 | 81.13% | 94.05% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.41% | 93.99% |
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.
| Cedrus libani |
| Cistus creticus |
| Marsupella emarginata |
| Persicaria minor |
| PubChem | 163188687 |
| LOTUS | LTS0080954 |
| wikiData | Q105378106 |