(10S,11S,18S)-18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.02,6.08,20.012,17]icosa-1,6,8(20),12(17),13,15-hexaene-14,16-diol
| Internal ID | a8bf009d-fdc6-47ec-a4ea-e18fa21577fe |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (10S,11S,18S)-18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.02,6.08,20.012,17]icosa-1,6,8(20),12(17),13,15-hexaene-14,16-diol |
| SMILES (Canonical) | C1C(C2=C(C=C(C=C2O)O)C3C(OC4=C3C1=C5C(C(OC5=C4)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)C8=CC=C(C=C8)O)C9=C(C=C(C=C9)O)O |
| SMILES (Isomeric) | C1[C@H](C2=C(C=C(C=C2O)O)[C@@H]3[C@H](OC4=C3C1=C5C(C(OC5=C4)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)C8=CC=C(C=C8)O)C9=C(C=C(C=C9)O)O |
| InChI | InChI=1S/C42H32O10/c43-22-5-1-19(2-6-22)41-36(21-11-25(46)13-26(47)12-21)38-31-17-29(28-10-9-24(45)15-32(28)49)37-30(14-27(48)16-33(37)50)40-39(31)35(18-34(38)51-41)52-42(40)20-3-7-23(44)8-4-20/h1-16,18,29,36,40-50H,17H2/t29-,36?,40-,41?,42+/m0/s1 |
| InChI Key | UEEKKINQMNKIGR-XEBBLOKKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C42H32O10 |
| Molecular Weight | 696.70 g/mol |
| Exact Mass | 696.19954721 g/mol |
| Topological Polar Surface Area (TPSA) | 180.00 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of (10S,11S,18S)-18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.02,6.08,20.012,17]icosa-1,6,8(20),12(17),13,15-hexaene-14,16-diol](https://plantaedb.com/storage/docs/compounds/2023/11/cb3f6660-84b3-11ee-8a43-7d125c1e3b9d.jpg "2D Structure of (10S,11S,18S)-18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.02,6.08,20.012,17]icosa-1,6,8(20),12(17),13,15-hexaene-14,16-diol")
| 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 | 98.12% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.36% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.75% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.57% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.69% | 97.93% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.96% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.10% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.07% | 93.40% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.87% | 91.49% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.83% | 99.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.63% | 95.56% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 88.61% | 96.42% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.25% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.70% | 98.75% |
| CHEMBL238 | Q01959 | Dopamine transporter | 83.99% | 95.88% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.63% | 90.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.18% | 95.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.92% | 99.17% |
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 gnemon |
| PubChem | 101168034 |
| LOTUS | LTS0092753 |
| wikiData | Q105270846 |