2',3'-Epoxyisocapnolactone
Internal ID | 14787cd0-a1d6-4da9-9d38-ceaf11e6fa80 |
Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
IUPAC Name | 7-[[(2S,3S)-3-methyl-3-[[(2S)-4-methylidene-5-oxooxolan-2-yl]methyl]oxiran-2-yl]methoxy]chromen-2-one |
SMILES (Canonical) | CC1(C(O1)COC2=CC3=C(C=C2)C=CC(=O)O3)CC4CC(=C)C(=O)O4 |
SMILES (Isomeric) | C[C@@]1([C@@H](O1)COC2=CC3=C(C=C2)C=CC(=O)O3)C[C@@H]4CC(=C)C(=O)O4 |
InChI | InChI=1S/C19H18O6/c1-11-7-14(23-18(11)21)9-19(2)16(25-19)10-22-13-5-3-12-4-6-17(20)24-15(12)8-13/h3-6,8,14,16H,1,7,9-10H2,2H3/t14-,16-,19-/m0/s1 |
InChI Key | BSQOZNKTJBOYCC-QOKNQOGYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H18O6 |
Molecular Weight | 342.30 g/mol |
Exact Mass | 342.11033829 g/mol |
Topological Polar Surface Area (TPSA) | 74.40 Ų |
XlogP | 2.80 |
4H-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-3,5-dimethoxy- |
7-[3-Methyl-3-(3-methylene-4-oxo-cyclopentylmethyl)-oxiranylmethoxy]-chromen-2-one |
7-[((2S,3S)-3-methyl-3-{[(2S)-4-methylene-5-oxotetrahydrofuran-2-yl]methyl}oxiran-2-yl)methoxy]-2H-chromen-2-one (non-preferred name) |
InChI=1/C19H18O6/c1-11-7-14(23-18(11)21)9-19(2)16(25-19)10-22-13-5-3-12-4-6-17(20)24-15(12)8-13/h3-6,8,14,16H,1,7,9-10H2,2H3/t14-,16-,19-/m0/s |

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 |
---|---|---|---|---|
CHEMBL2039 | P27338 | Monoamine oxidase B | 99.18% | 92.51% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.57% | 91.49% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.52% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.66% | 94.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.14% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 92.53% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.56% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.29% | 95.56% |
CHEMBL3401 | O75469 | Pregnane X receptor | 87.69% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.68% | 99.17% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.48% | 99.23% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.70% | 90.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.42% | 95.89% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.77% | 96.09% |
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.
Micromelum minutum |
PubChem | 637381 |
LOTUS | LTS0193804 |
wikiData | Q104945379 |