3,6,10,24-Tetrahydroxy-20-(5-hydroxy-2,2-dimethylchromen-8-yl)-30-methyl-14-(3-methylbut-2-enyl)-7,15,19,21-tetraoxaoctacyclo[18.11.1.02,18.04,16.06,14.08,13.022,27.028,32]dotriaconta-2,4(16),8(13),9,11,17,22(27),23,25,30-decaen-5-one
| Internal ID | 6eef33d0-bc60-4d9a-a9dd-e5ec7004fbcb |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 6-prenylated flavans |
| IUPAC Name | 3,6,10,24-tetrahydroxy-20-(5-hydroxy-2,2-dimethylchromen-8-yl)-30-methyl-14-(3-methylbut-2-enyl)-7,15,19,21-tetraoxaoctacyclo[18.11.1.02,18.04,16.06,14.08,13.022,27.028,32]dotriaconta-2,4(16),8(13),9,11,17,22(27),23,25,30-decaen-5-one |
| SMILES (Canonical) | CC1=CC2C3C(C1)C4=C(C=C(C=C4)O)OC3(OC5=CC6=C(C(=C25)O)C(=O)C7(C(O6)(C8=C(O7)C=C(C=C8)O)CC=C(C)C)O)C9=C1C(=C(C=C9)O)C=CC(O1)(C)C |
| SMILES (Isomeric) | CC1=CC2C3C(C1)C4=C(C=C(C=C4)O)OC3(OC5=CC6=C(C(=C25)O)C(=O)C7(C(O6)(C8=C(O7)C=C(C=C8)O)CC=C(C)C)O)C9=C1C(=C(C=C9)O)C=CC(O1)(C)C |
| InChI | InChI=1S/C45H40O11/c1-21(2)12-15-43-29-9-7-24(47)19-33(29)55-45(43,51)41(50)37-35(52-43)20-34-36(39(37)49)28-17-22(3)16-27-25-8-6-23(46)18-32(25)53-44(54-34,38(27)28)30-10-11-31(48)26-13-14-42(4,5)56-40(26)30/h6-14,17-20,27-28,38,46-49,51H,15-16H2,1-5H3 |
| InChI Key | MGISFAXYYUFOCQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C45H40O11 |
| Molecular Weight | 756.80 g/mol |
| Exact Mass | 756.25706209 g/mol |
| Topological Polar Surface Area (TPSA) | 164.00 Ų |
| XlogP | 7.60 |
| There are no found synonyms. |
![2D Structure of 3,6,10,24-Tetrahydroxy-20-(5-hydroxy-2,2-dimethylchromen-8-yl)-30-methyl-14-(3-methylbut-2-enyl)-7,15,19,21-tetraoxaoctacyclo[18.11.1.02,18.04,16.06,14.08,13.022,27.028,32]dotriaconta-2,4(16),8(13),9,11,17,22(27),23,25,30-decaen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/e0e82860-84da-11ee-80d4-8b4775c56cbf.jpg "2D Structure of 3,6,10,24-Tetrahydroxy-20-(5-hydroxy-2,2-dimethylchromen-8-yl)-30-methyl-14-(3-methylbut-2-enyl)-7,15,19,21-tetraoxaoctacyclo[18.11.1.02,18.04,16.06,14.08,13.022,27.028,32]dotriaconta-2,4(16),8(13),9,11,17,22(27),23,25,30-decaen-5-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 | 99.76% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.39% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.82% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.31% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.99% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.19% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.71% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.36% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.30% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.19% | 99.23% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 91.18% | 91.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.52% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.04% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.89% | 95.56% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 89.82% | 95.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.09% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.82% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.63% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.05% | 94.73% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.75% | 96.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.48% | 91.19% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.86% | 93.18% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.60% | 95.62% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.98% | 94.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.77% | 93.40% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.55% | 85.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.42% | 97.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.11% | 93.56% |
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.
| Sorocea bonplandii |
| Sorocea guilleminiana |
| PubChem | 162890059 |
| LOTUS | LTS0248718 |
| wikiData | Q104403242 |