5,7,4'-Trihydroxy-3,6-dimethoxy-3',5'-diprenylflavone
PubChem CID: 52936206
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| Compound Synonyms | 1246926-08-8, 5,7,4'-Trihydroxy-3,6-dimethoxy-3',5'-diprenylflavone, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl]-3,6-dimethoxy-, 5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-3,6-dimethoxychromen-4-one, 5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-3,6-dimethoxy-4H-chromen-4-one, CHEMBL2037156, WZB92608, AKOS022184932, FS-9381, CS-0158711, B0005-458335, 5,7,4'-trihydroxy-3',5'-di(3-methylbut-2-enyl)-3,6-dimethoxyflavone |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 791.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-3,6-dimethoxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.7 |
| Molecular Formula | C27H30O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OAZONEZZBRWOEP-UHFFFAOYSA-N |
| Fcsp3 | 0.2962962962962963 |
| Logs | -3.938 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.425 |
| Compound Name | 5,7,4'-Trihydroxy-3,6-dimethoxy-3',5'-diprenylflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 466.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 466.199 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 466.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.45542129411765 |
| Inchi | InChI=1S/C27H30O7/c1-14(2)7-9-16-11-18(12-17(22(16)29)10-8-15(3)4)25-27(33-6)24(31)21-20(34-25)13-19(28)26(32-5)23(21)30/h7-8,11-13,28-30H,9-10H2,1-6H3 |
| Smiles | CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dodonaea Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all