(4,6,7-trihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-9-yl) acetate
Internal ID | 08596201-2f13-4014-9f12-67b1704394a2 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
IUPAC Name | (4,6,7-trihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-9-yl) acetate |
SMILES (Canonical) | CC1=CC2C(C(CC(C(CC1OC(=O)C)O)(C)O)O)C(=C)C(=O)O2 |
SMILES (Isomeric) | CC1=CC2C(C(CC(C(CC1OC(=O)C)O)(C)O)O)C(=C)C(=O)O2 |
InChI | InChI=1S/C17H24O7/c1-8-5-13-15(9(2)16(21)24-13)11(19)7-17(4,22)14(20)6-12(8)23-10(3)18/h5,11-15,19-20,22H,2,6-7H2,1,3-4H3 |
InChI Key | VRYNUEZNRJKYTJ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C17H24O7 |
Molecular Weight | 340.40 g/mol |
Exact Mass | 340.15220310 g/mol |
Topological Polar Surface Area (TPSA) | 113.00 Ų |
XlogP | -0.30 |
There are no found synonyms. |
![2D Structure of (4,6,7-trihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-9-yl) acetate 2D Structure of (4,6,7-trihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-9-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/d87ffbb0-843f-11ee-b478-0f22c035d947.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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.09% | 91.11% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.94% | 83.82% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.01% | 85.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.88% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.43% | 89.00% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 90.60% | 97.79% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.91% | 96.09% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.73% | 95.50% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.71% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.38% | 95.56% |
CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.90% | 85.30% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.50% | 100.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.35% | 99.23% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.92% | 94.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.52% | 97.09% |
CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.25% | 96.39% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.96% | 91.19% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.55% | 97.14% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.21% | 91.07% |
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.
Urolepis hecatantha |
PubChem | 163040228 |
LOTUS | LTS0187235 |
wikiData | Q105292052 |