3,4'-Dihydroxy-7,8-dimethoxyflavone
PubChem CID: 44258701
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| Compound Synonyms | 3,4'-Dihydroxy-7,8-dimethoxyflavone, LMPK12111603, 3-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxychromen-4-one, 57499-07-7 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 479.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C17H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BXOSIXISUBMZJP-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.888 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.417 |
| Compound Name | 3,4'-Dihydroxy-7,8-dimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3905992086956527 |
| Inchi | InChI=1S/C17H14O6/c1-21-12-8-7-11-13(19)14(20)15(23-16(11)17(12)22-2)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3 |
| Smiles | COC1=C(C2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myrsine Semiserrata (Plant) Rel Props:Source_db:cmaup_ingredients