(+)-Totarol
| Internal ID | d104c893-303c-49cd-b640-9799c52bffab |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol |
| SMILES (Canonical) | CC(C)C1=C(C=CC2=C1CCC3C2(CCCC3(C)C)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C=CC2=C1CCC3C2(CCCC3(C)C)C)O |
| InChI | InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3 |
| InChI Key | ZRVDANDJSTYELM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O |
| Molecular Weight | 286.50 g/mol |
| Exact Mass | 286.229665576 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 6.70 |
| trans-Totarol |
| 4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol |
| NSC 299936; trans-Totarol;Totarol |
| TOTAROL (B637832K176) |
| Podocarpa-8,11,13-trien-13-ol, 14-isopropyl- |
| NSC-299936 |
| 2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS,8aS)- |
| 2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS-trans)- |
| 411239-21-9 |
| SCHEMBL1839596 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 99.10% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.57% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.57% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.00% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.77% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.69% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.36% | 99.15% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.63% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.54% | 94.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.19% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.19% | 95.89% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 87.13% | 91.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.04% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.02% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.95% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.49% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.16% | 93.40% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.02% | 89.62% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.21% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.04% | 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.
| PubChem | 326995 |
| LOTUS | LTS0175490 |
| wikiData | Q67880143 |