3-[2,4-Dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-6,8-dihydroxychromen-4-one
PubChem CID: 163050361
Connections displayed (default: 10).
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| Topological Polar Surface Area | 107.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 597.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-6,8-dihydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C20H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QAEKVSCYVOULAT-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.949 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.781 |
| Compound Name | 3-[2,4-Dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-6,8-dihydroxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 354.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.134004215384616 |
| Inchi | InChI=1S/C20H18O6/c1-4-20(2,3)14-7-11(15(22)8-16(14)23)13-9-26-19-12(18(13)25)5-10(21)6-17(19)24/h4-9,21-24H,1H2,2-3H3 |
| Smiles | CC(C)(C=C)C1=C(C=C(C(=C1)C2=COC3=C(C2=O)C=C(C=C3O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gleditsia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Luffa Aegyptiaca (Plant) Rel Props:Source_db:cmaup_ingredients