[(8S,9R,10R)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate
Internal ID | 73189bad-7ea3-46cd-9887-d1a5f5ef262e |
Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
IUPAC Name | [(8S,9R,10R)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate |
SMILES (Canonical) | CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3 |
SMILES (Isomeric) | C[C@@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4[C@@H]([C@]1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3 |
InChI | InChI=1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28+,30-/m1/s1 |
InChI Key | UFCGDBKFOKKVAC-FWGQTCSRSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H32O9 |
Molecular Weight | 536.60 g/mol |
Exact Mass | 536.20463259 g/mol |
Topological Polar Surface Area (TPSA) | 102.00 Ų |
XlogP | 5.00 |
There are no found synonyms. |
![2D Structure of [(8S,9R,10R)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate 2D Structure of [(8S,9R,10R)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/8173df90-8554-11ee-ae48-db9c36e3c7e9.jpg)
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 | 98.00% | 86.33% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.76% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.86% | 96.09% |
CHEMBL261 | P00915 | Carbonic anhydrase I | 96.26% | 96.76% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.08% | 95.56% |
CHEMBL2535 | P11166 | Glucose transporter | 92.94% | 98.75% |
CHEMBL2581 | P07339 | Cathepsin D | 92.23% | 98.95% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.14% | 92.62% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.95% | 99.17% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.13% | 99.23% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.49% | 90.00% |
CHEMBL5028 | O14672 | ADAM10 | 83.96% | 97.50% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.64% | 97.14% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.40% | 89.50% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.02% | 91.19% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.81% | 89.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.38% | 95.89% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.04% | 96.77% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.26% | 91.00% |
CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.25% | 94.03% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.21% | 95.50% |
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 arisanensis |
PubChem | 92146457 |
LOTUS | LTS0138113 |
wikiData | Q105271369 |