4-Hydroxy-6-(4-hydroxyphenyl)-2-(2-methoxypropan-2-yl)-9-(3-methylbut-2-enyl)furo[3,2-g]chromen-5-one
PubChem CID: 11697775
Connections displayed (default: 10).
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| Topological Polar Surface Area | 89.1 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 758.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-6-(4-hydroxyphenyl)-2-(2-methoxypropan-2-yl)-9-(3-methylbut-2-enyl)furo[3,2-g]chromen-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C26H26O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | POUISBVNFFZWQK-UHFFFAOYSA-N |
| Fcsp3 | 0.2692307692307692 |
| Logs | -3.227 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.211 |
| Compound Name | 4-Hydroxy-6-(4-hydroxyphenyl)-2-(2-methoxypropan-2-yl)-9-(3-methylbut-2-enyl)furo[3,2-g]chromen-5-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 434.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 434.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 434.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.692400600000001 |
| Inchi | InChI=1S/C26H26O6/c1-14(2)6-11-17-24-18(12-20(32-24)26(3,4)30-5)22(28)21-23(29)19(13-31-25(17)21)15-7-9-16(27)10-8-15/h6-10,12-13,27-28H,11H2,1-5H3 |
| Smiles | CC(=CCC1=C2C(=C(C3=C1OC=C(C3=O)C4=CC=C(C=C4)O)O)C=C(O2)C(C)(C)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Variegata (Plant) Rel Props:Source_db:cmaup_ingredients