(1S,5R,13S)-9,17,19-trihydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-one
| Internal ID | b112053a-9ebc-42b6-b89e-81ee6ac4f074 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | (1S,5R,13S)-9,17,19-trihydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H22O9/c31-16-5-1-14(2-6-16)22-10-9-19-20(34)13-24-26(29(19)37-22)27-28(36)25-21(35)11-18(33)12-23(25)38-30(27,39-24)15-3-7-17(32)8-4-15/h1-8,11-13,22,27,31-35H,9-10H2/t22-,27+,30+/m1/s1 |
| InChI Key | FMSQIJANAVPSHL-JHIRXSEKSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C30H22O9 |
| Molecular Weight | 526.50 g/mol |
| Exact Mass | 526.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of (1S,5R,13S)-9,17,19-trihydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-one](https://plantaedb.com/storage/docs/compounds/2023/11/56d98a90-85fb-11ee-97e1-bb94de10f0f5.jpg "2D Structure of (1S,5R,13S)-9,17,19-trihydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-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 | 99.41% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.83% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.38% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.09% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.19% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.14% | 98.95% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 90.53% | 85.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.92% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.45% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.02% | 99.23% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.98% | 85.00% |
| CHEMBL3194 | P02766 | Transthyretin | 85.80% | 90.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.30% | 96.38% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.23% | 96.12% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.16% | 90.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.08% | 95.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.02% | 92.94% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.37% | 89.67% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.28% | 95.78% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.19% | 93.10% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.74% | 99.15% |
| CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 80.72% | 82.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.70% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.56% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.36% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.17% | 93.04% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.01% | 100.00% |
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.
| Daphne odora |
| PubChem | 162910872 |
| LOTUS | LTS0124134 |
| wikiData | Q104998031 |