[(9S,10S)-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate
| Internal ID | 73a1354b-a9bc-4157-aa43-82ee0c9f97db |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(9S,10S)-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-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=C3CC1C)OC)OC)OC(=O)C4=CC=CC=C4)OC)OC)OC |
| SMILES (Isomeric) | C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@@H]1C)OC)OC)OC(=O)C4=CC=CC=C4)OC)OC)OC |
| InChI | InChI=1S/C30H34O7/c1-17-13-20-15-22(32-3)26(34-5)28(36-7)24(20)25-21(14-18(17)2)16-23(33-4)27(35-6)29(25)37-30(31)19-11-9-8-10-12-19/h8-12,15-18H,13-14H2,1-7H3/t17-,18-/m0/s1 |
| InChI Key | UJCNECGQPDWBSU-ROUUACIJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H34O7 |
| Molecular Weight | 506.60 g/mol |
| Exact Mass | 506.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of [(9S,10S)-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/158c90e0-8312-11ee-b2dc-8fee072364db.jpg "2D Structure of [(9S,10S)-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.37% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.87% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.61% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.10% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.76% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.51% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.67% | 91.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.28% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.28% | 90.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.62% | 97.50% |
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.
| Schisandra neglecta |
| PubChem | 162890864 |
| LOTUS | LTS0171274 |
| wikiData | Q105273857 |