Eupomatenoid 6
PubChem CID: 6261723
Connections displayed (default: 10).
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| Compound Synonyms | Eupomatenoid 6, Rataniaphenol II, Eupomatenoid-6, Ratanhiaphenol II, 41744-26-7, Rhataniaphenol II, CHEBI:69255, 2-(4-Hydroxyphenyl)-3-methyl-5-(E)-propenylbenzofuran, CHEMBL463574, 4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol, Phenol, 4-(2-methyl-5-(1E)-1-propenyl-2-benzofuranyl)-, Phenol, 4-(3-methyl-5-(1-propenyl)-2-benzofuranyl)-, (E)-, 4-{3-methyl-5-[(1E)-prop-1-en-1-yl]-1-benzofuran-2-yl}phenol, 4-(3-methyl-5-((1E)-prop-1-en-1-yl)-1-benzofuran-2-yl)phenol, Eupomatenoid VI, SCHEMBL748016, DTXSID101317461, BDBM50391884, NCGC00160183-01, AL-641/21118013, Q27137594, 4-(3-Methyl-5-(prop-1-en-1-yl)benzofuran-2-yl)phenol, 4-[3-methyl-5-[(E)-prop-1-enyl]benzofuran-2-yl]phenol |
|---|---|
| Topological Polar Surface Area | 33.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | B2RXH2, Q16637, P10636, P51450, P00352, Q03164, P28482, P15428, P05979, P79208, P09917, O14684 |
| Iupac Name | 4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol |
| Prediction Hob | 1.0 |
| Target Id | NPT48, NPT93, NPT51, NPT94, NPT282, NPT151, NPT956 |
| Xlogp | 5.0 |
| Molecular Formula | C18H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KNFUWJAIDVAYOV-ONEGZZNKSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -4.412 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.998 |
| Compound Name | Eupomatenoid 6 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 264.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.0518088 |
| Inchi | InChI=1S/C18H16O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-11,19H,1-2H3/b4-3+ |
| Smiles | C/C=C/C1=CC2=C(C=C1)OC(=C2C)C3=CC=C(C=C3)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