[4,5-Dihydroxy-2-[[2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-3-yl] 3-phenylprop-2-enoate
Internal ID | e1dc19ce-77a5-4198-8562-8938da0cc396 |
Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid esters |
IUPAC Name | [4,5-dihydroxy-2-[[2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-3-yl] 3-phenylprop-2-enoate |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C=CC6=CC=CC=C6)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C=CC6=CC=CC=C6)O)O |
InChI | InChI=1S/C30H38O15/c1-13-19(34)22(37)25(42-17(33)8-7-14-5-3-2-4-6-14)29(40-13)43-24-15-9-10-39-27(18(15)30(12-32)26(24)45-30)44-28-23(38)21(36)20(35)16(11-31)41-28/h2-10,13,15-16,18-29,31-32,34-38H,11-12H2,1H3 |
InChI Key | RLGYLKXDNQBDCU-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H38O15 |
Molecular Weight | 638.60 g/mol |
Exact Mass | 638.22107050 g/mol |
Topological Polar Surface Area (TPSA) | 227.00 Ų |
XlogP | -1.70 |
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 | 98.99% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.22% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.47% | 95.56% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.58% | 96.00% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.96% | 90.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.79% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.73% | 89.00% |
CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 91.45% | 94.23% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.96% | 94.62% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 90.68% | 94.08% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.14% | 94.73% |
CHEMBL2581 | P07339 | Cathepsin D | 89.64% | 98.95% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 88.79% | 97.36% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 83.89% | 91.49% |
CHEMBL5028 | O14672 | ADAM10 | 82.06% | 97.50% |
CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.63% | 89.67% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.13% | 90.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.06% | 99.17% |
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.
Holmskioldia sanguinea |
Verbascum spinosum |
PubChem | 74155560 |
LOTUS | LTS0079358 |
wikiData | Q105240036 |