Kuwanon E
PubChem CID: 10342292
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| Compound Synonyms | Kuwanon E, 68401-05-8, 2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one, (S)-2-[5-[(E)-3,7-Dimethyl-2,6-octadienyl]-2,4-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one, KuwanonE, 2-(5-((2E)-3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one, SCHEMBL5327823, CHEMBL1096939, BDBM50488883, LMPK12140462, AKOS037515408, AS-77066, 2',4',5,7-Tetrahydroxy-5'-geranylflavanone, 2-[5-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one, 9CI |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 681.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 0.0 |
| Class | Flavonoids |
| Target Id | NPT439, NPT204 |
| Xlogp | 5.8 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Flavans |
| Molecular Formula | C25H28O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GJFHZVPRFLHEBR-VIZOYTHASA-N |
| Fcsp3 | 0.32 |
| Logs | -3.332 |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Logd | 4.06 |
| Synonyms | 2',4',5,7-Tetrahydroxy-5'-geranylflavanone, 2-[5-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one, 9ci |
| Compound Name | Kuwanon E |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 424.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -6.110808212903226 |
| Inchi | InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-16-9-18(20(28)12-19(16)27)23-13-22(30)25-21(29)10-17(26)11-24(25)31-23/h5,7,9-12,23,26-29H,4,6,8,13H2,1-3H3/b15-7+ |
| Smiles | CC(=CCC/C(=C/CC1=CC(=C(C=C1O)O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)/C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | 3'-prenylated flavanones |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Paulownia Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients