4H-1-Benzopyran-4-one, 8-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-
PubChem CID: 38361344
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| Compound Synonyms | CHEMBL4525888, DTXSID001137355, 4H-1-Benzopyran-4-one, 8-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-, 1083200-81-0 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 598.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C22H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MAFSHIJISCSKKD-UHFFFAOYSA-N |
| Fcsp3 | 0.0454545454545454 |
| Logs | -3.577 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.817 |
| Compound Name | 4H-1-Benzopyran-4-one, 8-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 376.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 376.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.72408537142857 |
| Inchi | InChI=1S/C22H16O6/c23-15-8-4-7-13(21(15)27)9-14-16(24)10-17(25)20-18(26)11-19(28-22(14)20)12-5-2-1-3-6-12/h1-8,10-11,23-25,27H,9H2 |
| Smiles | C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C(=C3O2)CC4=C(C(=CC=C4)O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Desmos Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients