4-Hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)furo[3,2-g]chromen-5-one
PubChem CID: 25209719
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| Compound Synonyms | CHEMBL559517 |
|---|---|
| Topological Polar Surface Area | 100.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 743.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)furo[3,2-g]chromen-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C25H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZJPXKVGTXCAVOR-UHFFFAOYSA-N |
| Fcsp3 | 0.24 |
| Logs | -3.219 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.614 |
| Compound Name | 4-Hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)furo[3,2-g]chromen-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 420.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 420.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 420.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.345406587096774 |
| Inchi | InChI=1S/C25H24O6/c1-13(2)5-10-16-23-17(11-19(31-23)25(3,4)29)21(27)20-22(28)18(12-30-24(16)20)14-6-8-15(26)9-7-14/h5-9,11-12,26-27,29H,10H2,1-4H3 |
| Smiles | CC(=CCC1=C2C(=C(C3=C1OC=C(C3=O)C4=CC=C(C=C4)O)O)C=C(O2)C(C)(C)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cudrania Tricuspidata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all