(2S,4aR,10aS)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
| Internal ID | e79a7a0c-6e7a-416a-a0e3-491e5a6e190e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (2S,4aR,10aS)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol |
| SMILES (Canonical) | CC1=CC2=C(C=C1O)C3(CCC(C(C3CC2)(C)C)O)C |
| SMILES (Isomeric) | CC1=CC2=C(C=C1O)[C@@]3(CC[C@@H](C([C@H]3CC2)(C)C)O)C |
| InChI | InChI=1S/C18H26O2/c1-11-9-12-5-6-15-17(2,3)16(20)7-8-18(15,4)13(12)10-14(11)19/h9-10,15-16,19-20H,5-8H2,1-4H3/t15-,16+,18+/m1/s1 |
| InChI Key | ULORBDMEFAYHRJ-RYRKJORJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H26O2 |
| Molecular Weight | 274.40 g/mol |
| Exact Mass | 274.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
| 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 | 98.05% | 91.11% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 95.05% | 91.79% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.37% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.48% | 93.40% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.10% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.58% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 89.24% | 90.24% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.43% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.37% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.24% | 97.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.23% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.88% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.85% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.02% | 98.95% |
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.
| Flueggea virosa |
| PubChem | 76335499 |
| LOTUS | LTS0071402 |
| wikiData | Q105275252 |