1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol
| Internal ID | 1868b83e-bacf-4ee2-9e0b-b7389ab9a105 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol |
| SMILES (Canonical) | CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)CO)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)CO)C)O |
| InChI | InChI=1S/C20H30O2/c1-13(2)15-10-14-6-7-18-19(3,12-21)8-5-9-20(18,4)16(14)11-17(15)22/h10-11,13,18,21-22H,5-9,12H2,1-4H3 |
| InChI Key | ZSMYLYMVTJVQIR-UHFFFAOYSA-N |
| Popularity | 0 references 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 | 5.30 |
| 6298-23-3 |
| 8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol |
| CHEBI:79531 |
| DTXSID10978862 |
| DTXSID20286465 |
| ZSMYLYMVTJVQIR-UHFFFAOYSA-N |
| NSC45928 |
| NSC-45928 |
| Abieta-8,11,13-triene-12,18-diol # |
| FT-0698048 |
| 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 | 99.24% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.63% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.60% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.87% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.18% | 97.25% |
| CHEMBL233 | P35372 | Mu opioid receptor | 92.08% | 97.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.08% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.19% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.14% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.54% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.52% | 96.77% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.46% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.86% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.23% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.61% | 95.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 83.66% | 91.79% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.24% | 92.62% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.04% | 96.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.27% | 82.69% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.69% | 98.10% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.64% | 95.50% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.18% | 93.18% |
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.
| Cryptomeria japonica |
| Juniperus brevifolia |
| Juniperus chinensis |
| Prumnopitys ferruginea |
| Sequoia sempervirens |
| Torreya fargesii var. yunnanensis |
| Torreya nucifera |
| PubChem | 240051 |
| LOTUS | LTS0271834 |
| wikiData | Q27148627 |