(4aS,9aS)-9a-Methyl-3-(propan-2-yl)-2,4a,9,9a-tetrahydro-1H-xanthene
| Internal ID | 575dd068-2e32-4cc5-94a8-f4e57f953038 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes |
| IUPAC Name | (4aS,9aS)-9a-methyl-3-propan-2-yl-1,2,4a,9-tetrahydroxanthene |
| SMILES (Canonical) | CC(C)C1=CC2C(CC1)(CC3=CC=CC=C3O2)C |
| SMILES (Isomeric) | CC(C)C1=C[C@H]2[C@@](CC1)(CC3=CC=CC=C3O2)C |
| InChI | InChI=1S/C17H22O/c1-12(2)13-8-9-17(3)11-14-6-4-5-7-15(14)18-16(17)10-13/h4-7,10,12,16H,8-9,11H2,1-3H3/t16-,17-/m0/s1 |
| InChI Key | JCVVMRFAPQPJBD-IRXDYDNUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H22O |
| Molecular Weight | 242.36 g/mol |
| Exact Mass | 242.167065321 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 4.30 |
| (4aS,9aS)-9a-Methyl-3-(propan-2-yl)-2,4a,9,9a-tetrahydro-1H-xanthene |
| DTXSID60773506 |
| 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 | 94.63% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.25% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.22% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.37% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.75% | 96.47% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.15% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.25% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.21% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.12% | 97.09% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.39% | 95.71% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.37% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.37% | 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.
| Indigofera longiracemosa |
| PubChem | 71347575 |
| LOTUS | LTS0054404 |
| wikiData | Q82734345 |