3'-Geranyl-3-prenyl-2',4',5,7-tetrahydroxyflavone
PubChem CID: 73554048
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| Compound Synonyms | 3'-Geranyl-3-prenyl-2',4',5,7-tetrahydroxyflavone, 1334309-44-2, 3'-Geranyl-3-prenyl-5,7,2',4'-tetrahydroxyflavone, 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one, 3/'-Geranyl-3-prenyl-2/',4/',5,7-tetrahydroxyflavone, HY-N1833, AKOS022184581, FS-9425, DA-69966, CS-0017687 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 904.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.4 |
| Molecular Formula | C30H34O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GLWAWFMOTOFEGT-VXLYETTFSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.144 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.082 |
| Compound Name | 3'-Geranyl-3-prenyl-2',4',5,7-tetrahydroxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 490.236 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 490.236 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 490.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.58398408888889 |
| Inchi | InChI=1S/C30H34O6/c1-17(2)7-6-8-19(5)10-12-21-24(32)14-13-22(28(21)34)30-23(11-9-18(3)4)29(35)27-25(33)15-20(31)16-26(27)36-30/h7,9-10,13-16,31-34H,6,8,11-12H2,1-5H3/b19-10+ |
| Smiles | CC(=CCC/C(=C/CC1=C(C=CC(=C1O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)CC=C(C)C)O)/C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients