(8R,9R,16R)-16-(2,4-dihydroxyphenyl)-8-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol
| Internal ID | 03eeda44-19a2-4424-ba05-7c250ab3265c |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | (8R,9R,16R)-16-(2,4-dihydroxyphenyl)-8-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol |
| SMILES (Canonical) | C1=CC(=CC=C1C2C3C(C(C4=C2C(=CC(=C4)O)O)C5=C3C=C(C=C5O)O)C6=C(C=C(C=C6)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1[C@H]2[C@H]3[C@H](C(C4=C2C(=CC(=C4)O)O)C5=C3C=C(C=C5O)O)C6=C(C=C(C=C6)O)O)O |
| InChI | InChI=1S/C28H22O7/c29-13-3-1-12(2-4-13)23-24-18(7-15(31)10-21(24)34)28-25-19(8-16(32)11-22(25)35)27(23)26(28)17-6-5-14(30)9-20(17)33/h1-11,23,26-35H/t23-,26-,27+,28?/m1/s1 |
| InChI Key | MIPUQOUHHCMZTE-DIWVTFEUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H22O7 |
| Molecular Weight | 470.50 g/mol |
| Exact Mass | 470.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of (8R,9R,16R)-16-(2,4-dihydroxyphenyl)-8-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/87734910-867f-11ee-8da6-8756aac22af0.jpg "2D Structure of (8R,9R,16R)-16-(2,4-dihydroxyphenyl)-8-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol")
| 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 | 95.85% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.00% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.28% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.11% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.42% | 93.40% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 86.52% | 97.23% |
| CHEMBL3194 | P02766 | Transthyretin | 85.23% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.15% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.73% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.54% | 97.09% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.37% | 85.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.35% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.21% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.18% | 89.62% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.00% | 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.
| Gnetum hainanense |
| PubChem | 163185691 |
| LOTUS | LTS0121842 |
| wikiData | Q105165145 |