5,7-dihydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-3-(4-hydroxyphenyl)chromen-4-one
PubChem CID: 26250194
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 | 577.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 5,7-dihydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-3-(4-hydroxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C20H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GGHDLVXWIPWSLS-OAHLLOKOSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.516 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.072 |
| Compound Name | 5,7-dihydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-3-(4-hydroxyphenyl)chromen-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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.960904215384615 |
| Inchi | InChI=1S/C20H18O6/c1-10(2)15(22)7-13-16(23)8-17-18(19(13)24)20(25)14(9-26-17)11-3-5-12(21)6-4-11/h3-6,8-9,15,21-24H,1,7H2,2H3/t15-/m1/s1 |
| Smiles | CC(=C)[C@@H](CC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Amaranthus Spinosus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Piper Dilatatum (Plant) Rel Props:Source_db:cmaup_ingredients