(6bS,10R,10aS,11R)-10-(3,4-dihydroxyphenyl)-5-hydroxy-11-(4-hydroxy-2-methoxyphenyl)-6-methoxy-8-methyl-9,10,10a,11-tetrahydro-6bH-indeno[2,1-f]chromen-3-one
| Internal ID | c5f63941-7eef-40f5-bfab-0cd6138feb35 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | (6bS,10R,10aS,11R)-10-(3,4-dihydroxyphenyl)-5-hydroxy-11-(4-hydroxy-2-methoxyphenyl)-6-methoxy-8-methyl-9,10,10a,11-tetrahydro-6bH-indeno[2,1-f]chromen-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H28O8/c1-14-10-19(15-4-8-21(33)22(34)12-15)25-20(11-14)28-27(26(25)17-6-5-16(32)13-23(17)37-2)18-7-9-24(35)39-30(18)29(36)31(28)38-3/h4-9,11-13,19-20,25-26,32-34,36H,10H2,1-3H3/t19-,20+,25-,26+/m0/s1 |
| InChI Key | VVNFKFOTGIYXOX-PMWPQBSLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H28O8 |
| Molecular Weight | 528.50 g/mol |
| Exact Mass | 528.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of (6bS,10R,10aS,11R)-10-(3,4-dihydroxyphenyl)-5-hydroxy-11-(4-hydroxy-2-methoxyphenyl)-6-methoxy-8-methyl-9,10,10a,11-tetrahydro-6bH-indeno[2,1-f]chromen-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/6c7efc60-8721-11ee-b0a6-1b874c58187d.jpg "2D Structure of (6bS,10R,10aS,11R)-10-(3,4-dihydroxyphenyl)-5-hydroxy-11-(4-hydroxy-2-methoxyphenyl)-6-methoxy-8-methyl-9,10,10a,11-tetrahydro-6bH-indeno[2,1-f]chromen-3-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 | 99.54% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.49% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 95.48% | 89.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.10% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.05% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.95% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.95% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.65% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.40% | 91.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.86% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.85% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.84% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.87% | 94.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 90.66% | 94.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.64% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 89.61% | 95.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.35% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.45% | 98.75% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.52% | 83.82% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.26% | 90.71% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.11% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 85.54% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.39% | 92.94% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.97% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.95% | 91.19% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.09% | 97.33% |
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.
| Brosimum rubescens |
| PubChem | 102317067 |
| LOTUS | LTS0075447 |
| wikiData | Q105297735 |