(11S,17R,19R)-7,15,19-trihydroxy-17-methoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-9-one
| Internal ID | b7594fa4-05fc-4054-84d7-566ac8d7b50a |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (11S,17R,19R)-7,15,19-trihydroxy-17-methoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-9-one |
| SMILES (Canonical) | COC1CC(C2=C3C(CC(=O)C4=C3C=CC=C4O)C5=C2C1=C(C=C5)O)O |
| SMILES (Isomeric) | CO[C@@H]1C[C@H](C2=C3[C@@H](CC(=O)C4=C3C=CC=C4O)C5=C2C1=C(C=C5)O)O |
| InChI | InChI=1S/C21H18O5/c1-26-16-8-15(25)21-17-10-3-2-4-12(22)18(10)14(24)7-11(17)9-5-6-13(23)20(16)19(9)21/h2-6,11,15-16,22-23,25H,7-8H2,1H3/t11-,15+,16+/m0/s1 |
| InChI Key | VNVXZDRVVHCQPB-IUIKQTSFSA-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 | 1.50 |
| There are no found synonyms. |
![2D Structure of (11S,17R,19R)-7,15,19-trihydroxy-17-methoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/91f12610-83ae-11ee-baba-0d4825038304.jpg "2D Structure of (11S,17R,19R)-7,15,19-trihydroxy-17-methoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-9-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 | 98.02% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.27% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.65% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.41% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.93% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.90% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.89% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.87% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.65% | 98.75% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 86.16% | 91.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.84% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.81% | 93.03% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.42% | 91.00% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 82.77% | 91.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.04% | 82.69% |
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.
| Garcinia atroviridis |
| PubChem | 162870662 |
| LOTUS | LTS0165418 |
| wikiData | Q105289977 |