(9S,9aS)-9a-hydroxy-6-methyl-2-propan-2-yl-9-prop-1-en-2-yl-8,9-dihydro-7H-phenalen-1-one
| Internal ID | d3906fa0-b925-4a5d-9e77-c2cf9b4d09c6 |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | (9S,9aS)-9a-hydroxy-6-methyl-2-propan-2-yl-9-prop-1-en-2-yl-8,9-dihydro-7H-phenalen-1-one |
| SMILES (Canonical) | CC1=C2CCC(C3(C2=C(C=C1)C=C(C3=O)C(C)C)O)C(=C)C |
| SMILES (Isomeric) | CC1=C2CC[C@H]([C@@]3(C2=C(C=C1)C=C(C3=O)C(C)C)O)C(=C)C |
| InChI | InChI=1S/C20H24O2/c1-11(2)16-10-14-7-6-13(5)15-8-9-17(12(3)4)20(22,18(14)15)19(16)21/h6-7,10-11,17,22H,3,8-9H2,1-2,4-5H3/t17-,20-/m0/s1 |
| InChI Key | DLCPEPBEODTUSV-PXNSSMCTSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H24O2 |
| Molecular Weight | 296.40 g/mol |
| Exact Mass | 296.177630004 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.91% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.12% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.45% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.09% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.91% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.60% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.33% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.78% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.61% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.28% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.20% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.09% | 90.08% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.63% | 93.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.42% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.07% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.85% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.81% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.36% | 93.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.99% | 94.75% |
| CHEMBL260 | Q16539 | MAP kinase p38 alpha | 81.24% | 97.78% |
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.
| Angelica keiskei |
| Salvia prionitis |
| PubChem | 636645 |
| NPASS | NPC134564 |
| LOTUS | LTS0065749 |
| wikiData | Q104984138 |