3-[2,4-Dihydroxy-5-(2-methylbut-3-en-2-yl)-3-(2-methylprop-1-enyl)phenyl]-6,8-dihydroxychromen-4-one
PubChem CID: 162925394
Connections displayed (default: 10).
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| Topological Polar Surface Area | 107.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 734.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)-3-(2-methylprop-1-enyl)phenyl]-6,8-dihydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C24H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AYXONBHCJDVMKY-UHFFFAOYSA-N |
| Fcsp3 | 0.2083333333333333 |
| Logs | -3.451 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.974 |
| Compound Name | 3-[2,4-Dihydroxy-5-(2-methylbut-3-en-2-yl)-3-(2-methylprop-1-enyl)phenyl]-6,8-dihydroxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 408.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 408.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 408.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.369556666666667 |
| Inchi | InChI=1S/C24H24O6/c1-6-24(4,5)18-10-14(20(27)15(22(18)29)7-12(2)3)17-11-30-23-16(21(17)28)8-13(25)9-19(23)26/h6-11,25-27,29H,1H2,2-5H3 |
| Smiles | CC(=CC1=C(C(=CC(=C1O)C(C)(C)C=C)C2=COC3=C(C2=O)C=C(C=C3O)O)O)C |
| 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