(3S,3aS,4Z,6S,12aR)-3,8-dimethyl-12-methylidene-5-propan-2-yl-1,2,3a,6,7,10,11,12a-octahydrocyclopenta[11]annulene-3,6-diol
| Internal ID | c7a799a8-769b-47b1-90f0-e278724e0d0f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (3S,3aS,4Z,6S,12aR)-3,8-dimethyl-12-methylidene-5-propan-2-yl-1,2,3a,6,7,10,11,12a-octahydrocyclopenta[11]annulene-3,6-diol |
| SMILES (Canonical) | CC1=CCCC(=C)C2CCC(C2C=C(C(C1)O)C(C)C)(C)O |
| SMILES (Isomeric) | CC1=CCCC(=C)[C@@H]2CC[C@]([C@H]2/C=C(\[C@H](C1)O)/C(C)C)(C)O |
| InChI | InChI=1S/C20H32O2/c1-13(2)17-12-18-16(9-10-20(18,5)22)15(4)8-6-7-14(3)11-19(17)21/h7,12-13,16,18-19,21-22H,4,6,8-11H2,1-3,5H3/b14-7?,17-12-/t16-,18-,19-,20-/m0/s1 |
| InChI Key | YMOPJGVZPYEQEV-XGMIHEJNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (3S,3aS,4Z,6S,12aR)-3,8-dimethyl-12-methylidene-5-propan-2-yl-1,2,3a,6,7,10,11,12a-octahydrocyclopenta[11]annulene-3,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/9d19d590-85a4-11ee-8e1f-c7c6d11945d2.jpg "2D Structure of (3S,3aS,4Z,6S,12aR)-3,8-dimethyl-12-methylidene-5-propan-2-yl-1,2,3a,6,7,10,11,12a-octahydrocyclopenta[11]annulene-3,6-diol")
| 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 | 97.62% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.59% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.25% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.73% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.70% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.94% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.16% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.99% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.06% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.87% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.75% | 91.03% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.75% | 97.47% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.27% | 89.05% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.92% | 90.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.04% | 89.62% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.59% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.10% | 93.04% |
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 | 162967070 |
| LOTUS | LTS0187487 |
| wikiData | Q105350674 |