4'-Hydroxy-5,6,7-trimethoxyflavanone
PubChem CID: 244387
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| Compound Synonyms | 4'-Hydroxy-5,6,7-trimethoxyflavanone, 59567-91-8, CHEBI:79542, 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-2,3-dihydrochromen-4-one, DTXSID60288322, 2,3-Dihydro-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one, NSC-55274, 2-(4-hydroxyphenyl)-5,6,7-trimethoxychroman-4-one, 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-2,3-dihydro-4H-chromen-4-one, 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-3,4-dihydro-2H-1-benzopyran-4-one, NCIOpen2_007607, CHEMBL485055, DTXCID50239469, NSC55274, LMPK12140624, 72943-91-0, 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-chroman-4-one, Q27148647, 2-(4-Hydroxy-phenyl)-5,6,7-trimethoxy-chroman-4-one |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 433.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-2,3-dihydrochromen-4-one |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Is Pains | False |
| Molecular Formula | C18H18O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PDGDCUUTDPJPTI-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Rotatable Bond Count | 4.0 |
| Compound Name | 4'-Hydroxy-5,6,7-trimethoxyflavanone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 330.11 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 330.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 330.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6257832 |
| Inchi | InChI=1S/C18H18O6/c1-21-15-9-14-16(18(23-3)17(15)22-2)12(20)8-13(24-14)10-4-6-11(19)7-5-10/h4-7,9,13,19H,8H2,1-3H3 |
| Smiles | COC1=C(C(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chromolaena Odorata (Plant) Rel Props:Source_db:cmaup_ingredients