Rataniaphenol I
PubChem CID: 6440631
Connections displayed (default: 10).
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| Compound Synonyms | Rataniaphenol I, 79214-54-3, CHEMBL2147424, 5-methoxy-2-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol, CHEBI:69254, Ratanhiaphenol I, Phenol, 5-methoxy-2-(5-(1E)-1-propenyl-2-benzofuranyl)-, BDBM50391883, Q27137593, 2-(2-hydroxy-4-methoxyphenyl)-5-(E)-propenylbenzofuran, 5-methoxy-2-{5-[(1E)-prop-1-en-1-yl]-1-benzofuran-2-yl}phenol |
|---|---|
| Topological Polar Surface Area | 42.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 367.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P05979, P79208, P09917, O14684 |
| Iupac Name | 5-methoxy-2-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol |
| Prediction Hob | 1.0 |
| Target Id | NPT956 |
| Xlogp | 4.6 |
| Molecular Formula | C18H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VSRAHYZSNLDBKG-ONEGZZNKSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -5.451 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.38 |
| Compound Name | Rataniaphenol I |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 280.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.812874028571429 |
| Inchi | InChI=1S/C18H16O3/c1-3-4-12-5-8-17-13(9-12)10-18(21-17)15-7-6-14(20-2)11-16(15)19/h3-11,19H,1-2H3/b4-3+ |
| Smiles | C/C=C/C1=CC2=C(C=C1)OC(=C2)C3=C(C=C(C=C3)OC)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:npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Skimmia Wallichii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all