(1S,3aS)-3a,10-dimethyl-6-methylidene-1-propan-2-yl-2,3,4,7,8,11-hexahydro-1H-cyclopenta[11]annulen-5-one
| Internal ID | 2f0cd628-1439-4a81-b5c2-173a3970d2a0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Dolabellane and neodolabellane diterpenoids |
| IUPAC Name | (1S,3aS)-3a,10-dimethyl-6-methylidene-1-propan-2-yl-2,3,4,7,8,11-hexahydro-1H-cyclopenta[11]annulen-5-one |
| SMILES (Canonical) | CC1=CCCC(=C)C(=O)CC2(CCC(C2=CC1)C(C)C)C |
| SMILES (Isomeric) | CC1=CCCC(=C)C(=O)C[C@@]2(CC[C@H](C2=CC1)C(C)C)C |
| InChI | InChI=1S/C20H30O/c1-14(2)17-11-12-20(5)13-19(21)16(4)8-6-7-15(3)9-10-18(17)20/h7,10,14,17H,4,6,8-9,11-13H2,1-3,5H3/t17-,20-/m0/s1 |
| InChI Key | TUSPBQULTBUFEJ-PXNSSMCTSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H30O |
| Molecular Weight | 286.50 g/mol |
| Exact Mass | 286.229665576 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of (1S,3aS)-3a,10-dimethyl-6-methylidene-1-propan-2-yl-2,3,4,7,8,11-hexahydro-1H-cyclopenta[11]annulen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/6ed616c0-8752-11ee-ac6c-8160dd3f9718.jpg "2D Structure of (1S,3aS)-3a,10-dimethyl-6-methylidene-1-propan-2-yl-2,3,4,7,8,11-hexahydro-1H-cyclopenta[11]annulen-5-one")
| 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 | 97.41% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.20% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.83% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.67% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.15% | 93.40% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.45% | 96.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.87% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.74% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.11% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.86% | 96.43% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.33% | 93.04% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.31% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.00% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.76% | 98.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.69% | 96.47% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.46% | 93.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.69% | 94.75% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.58% | 91.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.56% | 97.09% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.36% | 90.24% |
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.
| There are no matching plants. |
| PubChem | 162931311 |
| LOTUS | LTS0054643 |
| wikiData | Q105265016 |