(4bS,8aS,10S)-1-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2,10-diol
| Internal ID | 37777c24-b965-485b-b8ca-4fede842f38e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4bS,8aS,10S)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-2,10-diol |
| SMILES (Canonical) | CC(C)C1=C(C=CC2=C1C(CC3C2(CCCC3(C)C)C)O)O |
| SMILES (Isomeric) | CC(C)C1=C(C=CC2=C1[C@H](C[C@@H]3[C@@]2(CCCC3(C)C)C)O)O |
| InChI | InChI=1S/C20H30O2/c1-12(2)17-14(21)8-7-13-18(17)15(22)11-16-19(3,4)9-6-10-20(13,16)5/h7-8,12,15-16,21-22H,6,9-11H2,1-5H3/t15-,16-,20+/m0/s1 |
| InChI Key | KTESLAVYKYMODC-TWOQFEAHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.50 g/mol |
| Exact Mass | 302.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 5.40 |
| (4bS,8aS,10S)-1-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2,10-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.64% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.08% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.13% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.28% | 99.15% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.07% | 97.25% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.91% | 89.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.27% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.46% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.23% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.09% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.99% | 82.69% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.47% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.43% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.32% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.00% | 94.62% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.37% | 97.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.22% | 93.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.97% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.92% | 100.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.03% | 91.79% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.02% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.75% | 90.00% |
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.
| Thujopsis dolabrata |
| PubChem | 484436 |
| LOTUS | LTS0082150 |
| wikiData | Q105145733 |