5-[(E)-2-[4-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,3-diol
PubChem CID: 145989531
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| Compound Synonyms | CHEMBL4290085 |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 431.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(E)-2-[4-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C20H22O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ACUJOEGBHPPBCF-AATRIKPKSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.041 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.845 |
| Compound Name | 5-[(E)-2-[4-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 326.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.0662304 |
| Inchi | InChI=1S/C20H22O4/c1-13(2)4-8-18-15(7-9-19(23)20(18)24-3)6-5-14-10-16(21)12-17(22)11-14/h4-7,9-12,21-23H,8H2,1-3H3/b6-5+ |
| Smiles | CC(=CCC1=C(C=CC(=C1OC)O)/C=C/C2=CC(=CC(=C2)O)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carpha Glomerata (Plant) Rel Props:Source_db:cmaup_ingredients