[(1S,9S,12R,14S)-3,5-dihydroxy-9,13,13-trimethyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2(7),3,5-trien-4-yl]-phenylmethanone
| Internal ID | fd51fe10-6f95-4bae-adb8-dc46298be3c7 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzophenones |
| IUPAC Name | [(1S,9S,12R,14S)-3,5-dihydroxy-9,13,13-trimethyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2(7),3,5-trien-4-yl]-phenylmethanone |
| SMILES (Canonical) | CC1(C2CCC3(C2C1C4=C(O3)C=C(C(=C4O)C(=O)C5=CC=CC=C5)O)C)C |
| SMILES (Isomeric) | C[C@]12CC[C@@H]3[C@H]1[C@@H](C3(C)C)C4=C(O2)C=C(C(=C4O)C(=O)C5=CC=CC=C5)O |
| InChI | InChI=1S/C23H24O4/c1-22(2)13-9-10-23(3)18(13)19(22)17-15(27-23)11-14(24)16(21(17)26)20(25)12-7-5-4-6-8-12/h4-8,11,13,18-19,24,26H,9-10H2,1-3H3/t13-,18+,19+,23+/m1/s1 |
| InChI Key | BQIVXBUAUNSLAJ-KKIPCARGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O4 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of [(1S,9S,12R,14S)-3,5-dihydroxy-9,13,13-trimethyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2(7),3,5-trien-4-yl]-phenylmethanone](https://plantaedb.com/storage/docs/compounds/2023/11/0c837750-84bf-11ee-8ed0-df08587fced4.jpg "2D Structure of [(1S,9S,12R,14S)-3,5-dihydroxy-9,13,13-trimethyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2(7),3,5-trien-4-yl]-phenylmethanone")
| 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 | 98.37% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.45% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.05% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.11% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.32% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.38% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.28% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.01% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.92% | 98.95% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.47% | 94.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.30% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.94% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.14% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.21% | 97.09% |
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.
| Clusia multiflora |
| PubChem | 51521299 |
| LOTUS | LTS0164162 |
| wikiData | Q104944358 |