7-(2,4-Dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-8-one
PubChem CID: 132504095
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| Compound Synonyms | CHEMBL4071144, BDBM50267192 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 607.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-(2,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-8-one |
| Prediction Hob | 1.0 |
| Target Id | NPT741 |
| Xlogp | 3.8 |
| Molecular Formula | C20H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BUIUNDUERSTKCN-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.872 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.659 |
| Compound Name | 7-(2,4-Dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-8-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 336.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.970926600000001 |
| Inchi | InChI=1S/C20H16O5/c1-20(2)6-5-11-7-12-8-15(14-4-3-13(21)9-16(14)22)19(23)24-17(12)10-18(11)25-20/h3-10,21-22H,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)C4=C(C=C(C=C4)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients