(5s,6s)-5,6-Dihydro-3,8,10-trihydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-hydroxymethyl-2,4-dimethoxy-7h-benzo[c]xanthen-7-one
| Internal ID | 6c829dcc-0389-4580-ab66-287ab6e155f6 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | (5S,6S)-3,8,10-trihydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-(hydroxymethyl)-2,4-dimethoxy-5,6-dihydrobenzo[c]xanthen-7-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2C(C3=C(C4=CC(=C(C(=C24)OC)O)OC)OC5=CC(=CC(=C5C3=O)O)O)CO)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)[C@@H]2[C@@H](C3=C(C4=CC(=C(C(=C24)OC)O)OC)OC5=CC(=CC(=C5C3=O)O)O)CO)O |
| InChI | InChI=1S/C27H24O10/c1-34-17-6-11(4-5-15(17)30)20-14(10-28)22-25(33)23-16(31)7-12(29)8-18(23)37-26(22)13-9-19(35-2)24(32)27(36-3)21(13)20/h4-9,14,20,28-32H,10H2,1-3H3/t14-,20+/m0/s1 |
| InChI Key | CCMIHRBRNXFXLT-VBKZILBWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H24O10 |
| Molecular Weight | 508.50 g/mol |
| Exact Mass | 508.13694696 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (5s,6s)-5,6-Dihydro-3,8,10-trihydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-hydroxymethyl-2,4-dimethoxy-7h-benzo[c]xanthen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/cc21fad0-8659-11ee-b445-63095abea5ed.jpg "2D Structure of (5s,6s)-5,6-Dihydro-3,8,10-trihydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-hydroxymethyl-2,4-dimethoxy-7h-benzo[c]xanthen-7-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 | 99.45% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.04% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.55% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 94.19% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.14% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.76% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.56% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.24% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.75% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.32% | 99.15% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.90% | 89.62% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.12% | 86.92% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.57% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.43% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.46% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.24% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.10% | 97.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.08% | 96.21% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.44% | 80.78% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.30% | 90.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.71% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.28% | 94.73% |
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.
| Avena sativa |
| PubChem | 11179721 |
| LOTUS | LTS0171282 |
| wikiData | Q104953492 |