(9S,10R,11S)-7,9,15-trihydroxy-10-methoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-17-one
| Internal ID | fa899fec-24b3-4a7b-b888-038bf976bb0d |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (9S,10R,11S)-7,9,15-trihydroxy-10-methoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-17-one |
| SMILES (Canonical) | COC1C2C3=C4C(=C2C5=C(C1O)C(=CC=C5)O)CCC(=O)C4=C(C=C3)O |
| SMILES (Isomeric) | CO[C@@H]1[C@H]2C3=C4C(=C2C5=C([C@@H]1O)C(=CC=C5)O)CCC(=O)C4=C(C=C3)O |
| InChI | InChI=1S/C21H18O5/c1-26-21-18-11-6-8-14(24)19-13(23)7-5-10(16(11)19)15(18)9-3-2-4-12(22)17(9)20(21)25/h2-4,6,8,18,20-22,24-25H,5,7H2,1H3/t18-,20-,21+/m0/s1 |
| InChI Key | XAABSYWNTKOZII-SESVDKBCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H18O5 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (9S,10R,11S)-7,9,15-trihydroxy-10-methoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-17-one](https://plantaedb.com/storage/docs/compounds/2023/11/52df6500-87aa-11ee-ba4e-39599e9e0431.jpg "2D Structure of (9S,10R,11S)-7,9,15-trihydroxy-10-methoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-17-one")
| 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 | 98.48% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.61% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.33% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.28% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.78% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.03% | 91.49% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.79% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.10% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.55% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.66% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.35% | 97.09% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.79% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.18% | 89.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.18% | 91.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.07% | 96.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.17% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.94% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.05% | 92.62% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.90% | 96.12% |
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.
| There are no matching plants. |
| PubChem | 9841312 |
| LOTUS | LTS0118244 |
| wikiData | Q105323746 |