(14R,15S,19R)-14-[(11R,12R)-3,4,5,11,16,17,18-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-12-yl]-2,3,4,7,8,9,19-heptahydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaene-12,17-dione
Internal ID | 46c99445-d96c-4f0a-a573-bd406efc990b |
Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
IUPAC Name | (14R,15S,19R)-14-[(11R,12R)-3,4,5,11,16,17,18-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-12-yl]-2,3,4,7,8,9,19-heptahydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaene-12,17-dione |
SMILES (Canonical) | C1C(C(OC(=O)C2=C(C(=C(C(=C2)C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)O |
SMILES (Isomeric) | C1[C@H]([C@@H](OC(=O)C2=C(C(=C(C(=C2)C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)[C@H]4[C@@H]5[C@@H](C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)O |
InChI | InChI=1S/C34H24O22/c35-9-2-6-12(21(42)19(9)40)5-1-8(18(39)26(47)17(5)38)33(51)54-28(11(37)4-53-31(6)49)30-29-25(46)16-15(34(52)55-29)14(23(44)27(48)24(16)45)13-7(32(50)56-30)3-10(36)20(41)22(13)43/h1-3,11,25,28-30,35-48H,4H2/t11-,25-,28-,29+,30+/m1/s1 |
InChI Key | SLESUXIYJUZVLL-JJPSAXCISA-N |
Popularity | 0 references in papers |
Molecular Formula | C34H24O22 |
Molecular Weight | 784.50 g/mol |
Exact Mass | 784.07592239 g/mol |
Topological Polar Surface Area (TPSA) | 388.00 Ų |
XlogP | 0.10 |
There are no found synonyms. |
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 | 99.22% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.55% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.44% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 92.73% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.85% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.58% | 86.33% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.24% | 85.14% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.24% | 99.15% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.12% | 99.23% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 86.72% | 96.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.67% | 100.00% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.78% | 93.40% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.75% | 94.00% |
CHEMBL4530 | P00488 | Coagulation factor XIII | 82.70% | 96.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 82.01% | 94.73% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.41% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.43% | 90.00% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.39% | 96.21% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.05% | 97.09% |
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.
Castanea mollissima |
PubChem | 162938366 |
LOTUS | LTS0062622 |
wikiData | Q105255242 |