3'-Methylflavokawin
PubChem CID: 21722044
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| Compound Synonyms | 3'-Methylflavokawin, 1044743-35-2, (2E)-1-(2-Hydroxy-4,6-dimethoxy-3-methylphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one, CHEMBL518309, AKOS040761107, FS-8667 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 414.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C18H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SEWZLIZAUPQMMM-RMKNXTFCSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.907 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.051 |
| Compound Name | 3'-Methylflavokawin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 314.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.264176356521738 |
| Inchi | InChI=1S/C18H18O5/c1-11-15(22-2)10-16(23-3)17(18(11)21)14(20)9-6-12-4-7-13(19)8-5-12/h4-10,19,21H,1-3H3/b9-6+ |
| Smiles | CC1=C(C(=C(C=C1OC)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all