SchisantherinG
Internal ID | 38e8f5c2-73a4-4aa4-96ac-68c4196a989f |
Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
IUPAC Name | [(8S,9S,10S,11R)-11-acetyloxy-9,19-dihydroxy-3,4,5-trimethoxy-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] (Z)-2-methylbut-2-enoate |
SMILES (Canonical) | CC=C(C)C(=O)OC1C2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C(C1(C)O)C)OC(=O)C)OCO4)O)OC)OC)OC |
SMILES (Isomeric) | C/C=C(/C)\C(=O)O[C@H]1C2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@@H]([C@@H]([C@]1(C)O)C)OC(=O)C)OCO4)O)OC)OC)OC |
InChI | InChI=1S/C29H34O11/c1-9-13(2)28(32)40-27-17-11-18(34-6)25(35-7)26(36-8)21(17)20-16(10-19-24(22(20)31)38-12-37-19)23(39-15(4)30)14(3)29(27,5)33/h9-11,14,23,27,31,33H,12H2,1-8H3/b13-9-/t14-,23+,27-,29-/m0/s1 |
InChI Key | LDZKECBAGCLYOT-YTBDCXFJSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H34O11 |
Molecular Weight | 558.60 g/mol |
Exact Mass | 558.21011190 g/mol |
Topological Polar Surface Area (TPSA) | 139.00 Ų |
XlogP | 3.70 |
117047-86-6 |
SchisantherinG |
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 | 99.79% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.13% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.75% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.07% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.72% | 86.33% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.99% | 96.77% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.35% | 95.56% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.26% | 92.62% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.64% | 94.80% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.61% | 89.50% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.28% | 92.94% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.94% | 100.00% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.16% | 91.19% |
CHEMBL2581 | P07339 | Cathepsin D | 83.48% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.05% | 99.17% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.91% | 95.89% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.00% | 99.23% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.00% | 90.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.73% | 96.00% |
CHEMBL2535 | P11166 | Glucose transporter | 81.58% | 98.75% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.43% | 82.67% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.23% | 94.00% |
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.
Kadsura oblongifolia |
PubChem | 145709288 |
LOTUS | LTS0119091 |
wikiData | Q105150468 |