2-(2,4-Dihydroxyphenyl)-5-(E)-Propenylbenzofuran
PubChem CID: 10355545
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| Compound Synonyms | 2-(2,4-dihydroxyphenyl)-5-(e)-propenylbenzofuran, CHEBI:69250, 109194-71-0, CHEMBL2147420, 4-{5-[(1E)-prop-1-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol, 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol, 4-(5-((1E)-prop-1-en-1-yl)-1-benzofuran-2-yl)benzene-1,3-diol, BDBM50391890, 2-(2,4-Dihydroxyphenyl)-5- (E)-propenylbenzofuran, Q27137589 |
|---|---|
| Topological Polar Surface Area | 53.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 354.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P79208, P09917, O14684, P05979 |
| Iupac Name | 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT956 |
| Xlogp | 4.3 |
| Molecular Formula | C17H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SDWZWUUOXFFJSA-NSCUHMNNSA-N |
| Fcsp3 | 0.0588235294117647 |
| Logs | -3.842 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.096 |
| Compound Name | 2-(2,4-Dihydroxyphenyl)-5-(E)-Propenylbenzofuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 266.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.6104351999999995 |
| Inchi | InChI=1S/C17H14O3/c1-2-3-11-4-7-16-12(8-11)9-17(20-16)14-6-5-13(18)10-15(14)19/h2-10,18-19H,1H3/b3-2+ |
| Smiles | C/C=C/C1=CC2=C(C=C1)OC(=C2)C3=C(C=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alsomitra Graciliflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Baliospermum Axillare (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Caiophora Coronata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Krameria Interior (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Krameria Lappacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Limnophila Rugosa (Plant) Rel Props:Source_db:npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Nepeta Erecta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Skimmia Wallichii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all