3a,6,9-Trimethyl-3-propan-2-yl-1,2,3,4,5,6a,7,10,10a,10b-decahydrobenzo[e]azulen-6-ol
| Internal ID | 20492bd3-b0b3-45e7-af67-3a4ed3982858 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Sphaeroane diterpenoids |
| IUPAC Name | 3a,6,9-trimethyl-3-propan-2-yl-1,2,3,4,5,6a,7,10,10a,10b-decahydrobenzo[e]azulen-6-ol |
| SMILES (Canonical) | CC1=CCC2C(C1)C3CCC(C3(CCC2(C)O)C)C(C)C |
| SMILES (Isomeric) | CC1=CCC2C(C1)C3CCC(C3(CCC2(C)O)C)C(C)C |
| InChI | InChI=1S/C20H34O/c1-13(2)16-8-9-17-15-12-14(3)6-7-18(15)20(5,21)11-10-19(16,17)4/h6,13,15-18,21H,7-12H2,1-5H3 |
| InChI Key | NGOAARVMNRCZEX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O |
| Molecular Weight | 290.50 g/mol |
| Exact Mass | 290.260965704 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 3a,6,9-Trimethyl-3-propan-2-yl-1,2,3,4,5,6a,7,10,10a,10b-decahydrobenzo[e]azulen-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3a69-trimethyl-3-propan-2-yl-123456a71010a10b-decahydrobenzoeazulen-6-ol.jpg "2D Structure of 3a,6,9-Trimethyl-3-propan-2-yl-1,2,3,4,5,6a,7,10,10a,10b-decahydrobenzo[e]azulen-6-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.36% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.02% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.07% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.24% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.15% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.15% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.48% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.30% | 96.38% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.21% | 89.05% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.88% | 93.04% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.63% | 98.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.29% | 96.43% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.50% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.47% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.12% | 97.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.71% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.64% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.61% | 96.61% |
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.
| Tephrosia pumila |
| PubChem | 162943261 |
| LOTUS | LTS0061139 |
| wikiData | Q105179033 |