(Z)-1-[2,4-dihydroxy-3-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-6-methoxyphenyl]-3-(2,4-dihydroxyphenyl)-2-hydroxyprop-2-en-1-one
PubChem CID: 118732443
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL3410512 |
|---|---|
| Topological Polar Surface Area | 148.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 732.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-1-[2,4-dihydroxy-3-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-6-methoxyphenyl]-3-(2,4-dihydroxyphenyl)-2-hydroxyprop-2-en-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.1 |
| Molecular Formula | C26H32O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WIZTTYONBFRXCA-NHDPSOOVSA-N |
| Fcsp3 | 0.3461538461538461 |
| Logs | -3.667 |
| Rotatable Bond Count | 10.0 |
| Logd | 2.683 |
| Compound Name | (Z)-1-[2,4-dihydroxy-3-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-6-methoxyphenyl]-3-(2,4-dihydroxyphenyl)-2-hydroxyprop-2-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 472.21 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 472.21 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 472.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.571287270588236 |
| Inchi | InChI=1S/C26H32O8/c1-14(2)15(8-9-26(3,4)33)10-18-20(29)13-22(34-5)23(24(18)31)25(32)21(30)11-16-6-7-17(27)12-19(16)28/h6-7,11-13,15,27-31,33H,1,8-10H2,2-5H3/b21-11- |
| Smiles | CC(=C)C(CCC(C)(C)O)CC1=C(C(=C(C=C1O)OC)C(=O)/C(=C/C2=C(C=C(C=C2)O)O)/O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients