(4bS,7S,8aS)-7-ethenyl-1-(hydroxymethyl)-4b,7-dimethyl-5,6,8,8a,9,10-hexahydrophenanthren-3-ol
| Internal ID | 81a0b816-fada-474d-91f5-39958391900b |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes |
| IUPAC Name | (4bS,7S,8aS)-7-ethenyl-1-(hydroxymethyl)-4b,7-dimethyl-5,6,8,8a,9,10-hexahydrophenanthren-3-ol |
| SMILES (Canonical) | CC1(CCC2(C(C1)CCC3=C(C=C(C=C32)O)CO)C)C=C |
| SMILES (Isomeric) | C[C@@]1(CC[C@]2([C@H](C1)CCC3=C(C=C(C=C32)O)CO)C)C=C |
| InChI | InChI=1S/C19H26O2/c1-4-18(2)7-8-19(3)14(11-18)5-6-16-13(12-20)9-15(21)10-17(16)19/h4,9-10,14,20-21H,1,5-8,11-12H2,2-3H3/t14-,18-,19-/m0/s1 |
| InChI Key | NVRVMAIGTSVLKR-JVPBZIDWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H26O2 |
| Molecular Weight | 286.40 g/mol |
| Exact Mass | 286.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 5.00 |
| 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 | 99.30% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.70% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 91.85% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.84% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.70% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.40% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.01% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.30% | 90.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.16% | 95.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.80% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.63% | 92.62% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.51% | 91.71% |
| CHEMBL240 | Q12809 | HERG | 81.33% | 89.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.29% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.17% | 98.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.84% | 95.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.54% | 95.89% |
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.
| Dryopteris maximowiczii |
| PubChem | 21637594 |
| LOTUS | LTS0192130 |
| wikiData | Q105186382 |