Euparin methyl ether
PubChem CID: 182181
Connections displayed (default: 10).
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| Compound Synonyms | Euparin methyl ether, 6-methoxyeuparin, 34293-13-5, 6-O-Methyleuparin, 1-(6-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone, CHEBI:2222, C08762, WS35Q488U0, AC1L4AG8, UNII-WS35Q488U0, EUPARIN O-METHYL [MI], CHEMBL451121, DTXSID10187851, 1-(2-isopropenyl-6-methoxy-benzofuran-5-yl)ethanone, Q27105585, KETONE, 2-ISOPROPENYL-6-METHOXY-5-BENZOFURANYL METHYL, 1-(6-METHOXY-2-(1-METHYLETHENYL)-5-BENZOFURANYL)ETHANON, ETHANONE, 1-(6-METHOXY-2-(1-METHYLETHENYL)-5-BENZOFURANYL)- |
|---|---|
| Topological Polar Surface Area | 39.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(6-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C14H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XFSSPJGVPRWHLS-UHFFFAOYSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -4.714 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.226 |
| Compound Name | Euparin methyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 230.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 230.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.609695305882353 |
| Inchi | InChI=1S/C14H14O3/c1-8(2)12-6-10-5-11(9(3)15)14(16-4)7-13(10)17-12/h5-7H,1H2,2-4H3 |
| Smiles | CC(=C)C1=CC2=CC(=C(C=C2O1)OC)C(=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aphanamixis Polystachya (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Asclepias Speciosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Callicarpa Bodinieri (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Citrus Aurantiifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Corydalis Flabellata (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Eupatorium Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Lysimachia Clethroides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Manilkara Hexandra (Plant) Rel Props:Source_db:npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Mimosa Tenuiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Paeonia Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Phaulopsis Imbricata (Plant) Rel Props:Source_db:npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Senna Sophera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Thalictrum Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Trapa Bispinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all