6-Desmethylsideroxylin
PubChem CID: 56665369
Connections displayed (default: 10).
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| Compound Synonyms | 6-Desmethylsideroxylin, CHEBI:69918, 6-Desmethyl-Sideroxylin, 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-methyl-4H-chromen-4-one, CHEMBL1819402, Q27138263, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-methylchromen-4-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-methylchromen-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Is Pains | False |
| Molecular Formula | C17H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IFIBDPUYMKDGNN-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 6-Desmethylsideroxylin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.084 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| 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 | 0.0 |
| Esol | -3.7147046181818184 |
| Inchi | InChI=1S/C17H14O5/c1-9-14(21-2)7-12(19)16-13(20)8-15(22-17(9)16)10-3-5-11(18)6-4-10/h3-8,18-19H,1-2H3 |
| Smiles | CC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=C(C=C3)O)O)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dracaena Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hydrastis Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients