(2S,4aR,10aS)-2,4a-dimethyl-1-methylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-ol
| Internal ID | 3b0b3326-ed63-407a-b85b-3e8f19866d83 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (2S,4aR,10aS)-2,4a-dimethyl-1-methylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-ol |
| SMILES (Canonical) | CC(C)C1=CC2=C(C=C1)C3(CCC(C(=C)C3CC2)(C)O)C |
| SMILES (Isomeric) | CC(C)C1=CC2=C(C=C1)[C@@]3(CC[C@](C(=C)[C@H]3CC2)(C)O)C |
| InChI | InChI=1S/C20H28O/c1-13(2)15-6-9-18-16(12-15)7-8-17-14(3)20(5,21)11-10-19(17,18)4/h6,9,12-13,17,21H,3,7-8,10-11H2,1-2,4-5H3/t17-,19-,20+/m1/s1 |
| InChI Key | CRMSCXRMKBTZGF-RLLQIKCJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O |
| Molecular Weight | 284.40 g/mol |
| Exact Mass | 284.214015512 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 4.60 |
| 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 | 98.36% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.48% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.63% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.38% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.32% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.98% | 97.25% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.87% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.40% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.49% | 95.93% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 85.01% | 93.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.29% | 95.89% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.35% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.76% | 90.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.60% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.84% | 90.71% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.78% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.60% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.28% | 95.56% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.84% | 98.10% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.32% | 93.40% |
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.
| Vitex rotundifolia |
| PubChem | 162987350 |
| LOTUS | LTS0205353 |
| wikiData | Q104968597 |