(E)-3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)prop-2-en-1-one
PubChem CID: 5321858
Connections displayed (default: 10).
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | GYEZIQDCZWTBTP-HWKANZROSA-N |
| Fcsp3 | 0.1176470588235294 |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 24.0 |
| Compound Name | (E)-3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)prop-2-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.09 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 332.3 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)prop-2-en-1-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Prediction Hob | 0.0 |
| Esol | -3.6791096000000003 |
| Inchi | InChI=1S/C17H16O7/c1-23-14-6-4-9(7-11(14)19)3-5-10(18)15-12(20)8-13(21)17(24-2)16(15)22/h3-8,19-22H,1-2H3/b5-3+ |
| Smiles | COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C(=C(C=C2O)O)OC)O)O |
| Xlogp | 2.8 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C17H16O7 |
- 1. Outgoing r'ship
FOUND_INto/from Curculigo Orchioides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lysimachia Christinae (Plant) Rel Props:Source_db:cmaup_ingredients