5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
PubChem CID: 145987225
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| Compound Synonyms | CHEMBL4293397, BDBM50468222 |
|---|---|
| Topological Polar Surface Area | 94.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 776.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one |
| Prediction Hob | 0.0 |
| Target Id | NPT570 |
| Xlogp | 5.6 |
| Molecular Formula | C27H30O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SNJDAVIWJHKZIZ-UHFFFAOYSA-N |
| Fcsp3 | 0.3703703703703703 |
| Logs | -4.741 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.977 |
| Compound Name | 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 466.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 466.199 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 466.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.100462470588236 |
| Inchi | InChI=1S/C27H30O7/c1-15(2)7-6-9-27(3)10-8-17-20(34-27)14-21-24(25(17)29)18(28)13-19(33-21)16-11-22(31-4)26(30)23(12-16)32-5/h7-8,10-12,14,19,29-30H,6,9,13H2,1-5H3 |
| Smiles | CC(=CCCC1(C=CC2=C(C3=C(C=C2O1)OC(CC3=O)C4=CC(=C(C(=C4)OC)O)OC)O)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Paulownia Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients