5,7,2',4'-Tetrahydroxy-3-geranylflavone
PubChem CID: 10295791
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| Compound Synonyms | 5,7,2',4'-tetrahydroxy-3-geranylflavone, 376361-87-4, CHEMBL458187, 2-(2,4-dihydroxyphenyl)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxychromen-4-one, SCHEMBL6822936, SCHEMBL6822937, BDBM645355, BDBM50250977, FS-7667, US20240016777, Table1a.6, 5,7,2'',4''-tetrahydroxy-3-geranylflavone, 5,7,2',4'- Tetrahydroxy-3- geranylflavone |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 747.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P11511 |
| Iupac Name | 2-(2,4-dihydroxyphenyl)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT441 |
| Xlogp | 5.5 |
| Molecular Formula | C25H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GRRICQNASNJYBZ-VIZOYTHASA-N |
| Fcsp3 | 0.24 |
| Logs | -3.038 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.723 |
| Compound Name | 5,7,2',4'-Tetrahydroxy-3-geranylflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 422.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 422.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.130792883870968 |
| Inchi | InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-9-19-24(30)23-21(29)12-17(27)13-22(23)31-25(19)18-10-8-16(26)11-20(18)28/h5,7-8,10-13,26-29H,4,6,9H2,1-3H3/b15-7+ |
| Smiles | CC(=CCC/C(=C/CC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=C(C=C(C=C3)O)O)/C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Broussonetia Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all