3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-, acetate, (4bs-trans)-
| Internal ID | 85ce32ad-2a6a-407f-a71e-61b3a0f9a06b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl) acetate |
| SMILES (Canonical) | CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)OC(=O)C |
| SMILES (Isomeric) | CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)OC(=O)C |
| InChI | InChI=1S/C22H32O2/c1-14(2)17-12-16-8-9-20-21(4,5)10-7-11-22(20,6)18(16)13-19(17)24-15(3)23/h12-14,20H,7-11H2,1-6H3 |
| InChI Key | AZEPENWNEVUZPW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O2 |
| Molecular Weight | 328.50 g/mol |
| Exact Mass | 328.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 6.80 |
| Ferruginol acetate |
| trans-ferruginyl acetate |
| AZEPENWNEVUZPW-UHFFFAOYSA-N |
| Abieta-8,11,13-trien-12-yl acetate # |
| Podocarpa-8,11,13-trien-12-ol, 13-isopropyl-, acetate |
| 3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-, 3-acetate, (4bS,8aS)- |
| 3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-, acetate, (4bs-trans)- |
| 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 | 98.47% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.73% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.03% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.61% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.49% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.05% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.02% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.78% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.50% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.65% | 95.56% |
| CHEMBL2808 | Q13133 | LXR-alpha | 83.98% | 97.06% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.21% | 96.38% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.16% | 96.77% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.13% | 82.69% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.86% | 89.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.64% | 93.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.89% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.08% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.86% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.66% | 89.00% |
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.
| Amentotaxus formosana |
| Calocedrus formosana |
| Prumnopitys andina |
| PubChem | 625418 |
| LOTUS | LTS0234505 |
| wikiData | Q104921647 |