8-Prenylquercetin
PubChem CID: 9799499
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| Compound Synonyms | 8-prenylquercetin, 143724-75-8, CHEMBL193059, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)chromen-4-one, 8-prenyl-quercetin, SCHEMBL2686819, DTXSID401123716, BDBM50240974, PD183371, 2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-8-(3-methyl-but-2-enyl)-chromen-4-one, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-(3-methyl-2-buten-1-yl)- |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 636.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O76074 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT273 |
| Xlogp | 4.1 |
| Molecular Formula | C20H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZHTTWVRMGWQEOH-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.338 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.274 |
| Compound Name | 8-Prenylquercetin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 370.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 370.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.588031918518518 |
| Inchi | InChI=1S/C20H18O7/c1-9(2)3-5-11-13(22)8-15(24)16-17(25)18(26)19(27-20(11)16)10-4-6-12(21)14(23)7-10/h3-4,6-8,21-24,26H,5H2,1-2H3 |
| Smiles | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sinopodophyllum Hexandrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all