8-(2,3-Dihydroxy-3-methylbutyl)-5,7-dihydroxy-6-(2-methylbutanoyl)-4-phenylchromen-2-one
PubChem CID: 11037550
Connections displayed (default: 10).
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| Topological Polar Surface Area | 124.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 724.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(2,3-dihydroxy-3-methylbutyl)-5,7-dihydroxy-6-(2-methylbutanoyl)-4-phenylchromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C25H28O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DFBLQWGFTJWAOT-UHFFFAOYSA-N |
| Fcsp3 | 0.36 |
| Logs | -4.095 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.12 |
| Compound Name | 8-(2,3-Dihydroxy-3-methylbutyl)-5,7-dihydroxy-6-(2-methylbutanoyl)-4-phenylchromen-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 440.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.184 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 440.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.299750400000001 |
| Inchi | InChI=1S/C25H28O7/c1-5-13(2)21(28)20-22(29)16(11-17(26)25(3,4)31)24-19(23(20)30)15(12-18(27)32-24)14-9-7-6-8-10-14/h6-10,12-13,17,26,29-31H,5,11H2,1-4H3 |
| Smiles | CCC(C)C(=O)C1=C(C2=C(C(=C1O)CC(C(C)(C)O)O)OC(=O)C=C2C3=CC=CC=C3)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calophyllum Dispar (Plant) Rel Props:Source_db:cmaup_ingredients