(E,2R,3S,4S,5S,6S,7S,8R)-11-(6-amino-2-hydroxy-3-methyl-5,8-dioxonaphthalen-1-yl)-3,5,7-trihydroxy-2,4,6,8,10-pentamethyl-11-oxoundec-9-enoic acid
| Internal ID | ab110a98-cbab-45db-95b3-adaf8af2e526 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (E,2R,3S,4S,5S,6S,7S,8R)-11-(6-amino-2-hydroxy-3-methyl-5,8-dioxonaphthalen-1-yl)-3,5,7-trihydroxy-2,4,6,8,10-pentamethyl-11-oxoundec-9-enoic acid |
| SMILES (Canonical) | CC1=CC2=C(C(=O)C=C(C2=O)N)C(=C1O)C(=O)C(=CC(C)C(C(C)C(C(C)C(C(C)C(=O)O)O)O)O)C |
| SMILES (Isomeric) | CC1=CC2=C(C(=O)C=C(C2=O)N)C(=C1O)C(=O)/C(=C/[C@@H](C)[C@@H]([C@H](C)[C@@H]([C@H](C)[C@@H]([C@@H](C)C(=O)O)O)O)O)/C |
| InChI | InChI=1S/C27H35NO9/c1-10(21(30)13(4)24(33)14(5)25(34)15(6)27(36)37)7-11(2)22(31)20-19-16(8-12(3)23(20)32)26(35)17(28)9-18(19)29/h7-10,13-15,21,24-25,30,32-34H,28H2,1-6H3,(H,36,37)/b11-7+/t10-,13+,14+,15-,21+,24+,25+/m1/s1 |
| InChI Key | XPNRGDIMJUCLDI-YTCBPWMOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H35NO9 |
| Molecular Weight | 517.60 g/mol |
| Exact Mass | 517.23118169 g/mol |
| Topological Polar Surface Area (TPSA) | 195.00 Ų |
| XlogP | 2.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.44% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.02% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.29% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.13% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.97% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.99% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.65% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.15% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.93% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.01% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.86% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.40% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.84% | 93.56% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.28% | 94.42% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 82.15% | 95.69% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.99% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.14% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.78% | 96.21% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.58% | 91.07% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.13% | 89.62% |
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.
| There are no matching plants. |
| PubChem | 163190621 |
| LOTUS | LTS0197243 |
| wikiData | Q105338875 |