(2R*,3R*)-2,3-dihydro-7-hydroxy-2,3-dimethyl-2-[4,8-dimethyl-3(E)-7-nonadien-6-onyl]furo[3,2-c]coumarin
| Internal ID | 505433b6-0be5-4684-bc4a-46d5518013cb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (2R,3R)-2-[(3E)-4,8-dimethyl-6-oxonona-3,7-dienyl]-7-hydroxy-2,3-dimethyl-3H-furo[3,2-c]chromen-4-one |
| SMILES (Canonical) | CC1C2=C(C3=C(C=C(C=C3)O)OC2=O)OC1(C)CCC=C(C)CC(=O)C=C(C)C |
| SMILES (Isomeric) | C[C@@H]1C2=C(C3=C(C=C(C=C3)O)OC2=O)O[C@]1(C)CC/C=C(\C)/CC(=O)C=C(C)C |
| InChI | InChI=1S/C24H28O5/c1-14(2)11-18(26)12-15(3)7-6-10-24(5)16(4)21-22(29-24)19-9-8-17(25)13-20(19)28-23(21)27/h7-9,11,13,16,25H,6,10,12H2,1-5H3/b15-7+/t16-,24-/m1/s1 |
| InChI Key | VFFCJVAKVAWFMA-BAFNZYHESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H28O5 |
| Molecular Weight | 396.50 g/mol |
| Exact Mass | 396.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 4.90 |
| (2R*,3R*)-2,3-dihydro-7-hydroxy-2,3-dimethyl-2-[4,8-dimethyl-3(E)-7-nonadien-6-onyl]furo[3,2-c]coumarin |
| (2R*,3R*)-2-[(3E)-4,8-dimethyl-6-oxonona-3,7-dien-1-yl]-7-hydroxy-2,3-dimethyl-2,3-dihydro-4H-furo[3,2-c]chromen-4-one |
| CHEMBL460123 |
| Q27134427 |
| (2R,3R)-2-[(3E)-4,8-dimethyl-6-oxonona-3,7-dienyl]-7-hydroxy-2,3-dimethyl-3H-furo[3,2-c]chromen-4-one |
| 2,3-Dihydro-2beta,3alpha-dimethyl-7-hydroxy-2-[(E)-4,8-dimethyl-6-oxo-3,7-nonadienyl]-4H-furo[3,2-c][1]benzopyran-4-one |
![2D Structure of (2R*,3R*)-2,3-dihydro-7-hydroxy-2,3-dimethyl-2-[4,8-dimethyl-3(E)-7-nonadien-6-onyl]furo[3,2-c]coumarin](https://plantaedb.com/storage/docs/compounds/2023/07/cdc502f0-2429-11ee-b628-77b36ea9c35f.jpg "2D Structure of (2R*,3R*)-2,3-dihydro-7-hydroxy-2,3-dimethyl-2-[4,8-dimethyl-3(E)-7-nonadien-6-onyl]furo[3,2-c]coumarin")
| 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 | 99.68% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.01% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.55% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.19% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.27% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.23% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.45% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.38% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.04% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.67% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.20% | 86.33% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.19% | 85.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.68% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.60% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.68% | 94.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.05% | 99.23% |
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.
| Ferula fukanensis |
| PubChem | 11361458 |
| NPASS | NPC317045 |
| ChEMBL | CHEMBL460123 |
| LOTUS | LTS0055327 |
| wikiData | Q27134427 |