[(8R,9S,10S)-5,14-dihydroxy-3,4,15,16-tetramethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate
| Internal ID | 81b4765f-fa46-43bb-b80c-aa79b360657a |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(8R,9S,10S)-5,14-dihydroxy-3,4,15,16-tetramethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate |
| SMILES (Canonical) | CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C(C1C)OC(=O)C4=CC=CC=C4)O)OC)OC)OC)OC)O |
| SMILES (Isomeric) | C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3[C@@H]([C@H]1C)OC(=O)C4=CC=CC=C4)O)OC)OC)OC)OC)O |
| InChI | InChI=1S/C29H32O8/c1-15-12-18-13-20(30)25(33-3)27(35-5)22(18)23-19(14-21(31)26(34-4)28(23)36-6)24(16(15)2)37-29(32)17-10-8-7-9-11-17/h7-11,13-16,24,30-31H,12H2,1-6H3/t15-,16-,24+/m0/s1 |
| InChI Key | FFCJLQURVSDVKP-CCHLGUQTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H32O8 |
| Molecular Weight | 508.60 g/mol |
| Exact Mass | 508.20971797 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of [(8R,9S,10S)-5,14-dihydroxy-3,4,15,16-tetramethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/0966c4d0-81c7-11ee-99b2-d1096cc98462.jpg "2D Structure of [(8R,9S,10S)-5,14-dihydroxy-3,4,15,16-tetramethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate")
| 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 | 96.30% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.07% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.48% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 95.07% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.58% | 96.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 91.86% | 91.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.49% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.03% | 99.17% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 89.30% | 95.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.28% | 95.56% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 89.06% | 91.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.42% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 82.83% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.15% | 91.19% |
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.
| Isodon eriocalyx |
| PubChem | 46832522 |
| LOTUS | LTS0156838 |
| wikiData | Q105245160 |