(3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]-6-methylchromen-4-one
PubChem CID: 44557156
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL775103, CHEMBL1078177 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]-6-methylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C17H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QQNUVAQAOFSXSN-IZZDOVSWSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.263 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.61 |
| Compound Name | (3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]-6-methylchromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 298.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.030459163636364 |
| Inchi | InChI=1S/C17H14O5/c1-9-13(19)7-14-15(16(9)20)17(21)11(8-22-14)6-10-2-4-12(18)5-3-10/h2-7,18-20H,8H2,1H3/b11-6+ |
| Smiles | CC1=C(C2=C(C=C1O)OC/C(=C\C3=CC=C(C=C3)O)/C2=O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anemarrhena Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all