1-(2,4-Dihydroxy-3-Prenylphenyl)-3-(4-Hydroxyphenyl)Propane
PubChem CID: 10913975
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| Compound Synonyms | 1-(2,4-dihydroxy-3-prenylphenyl)-3-(4-hydroxyphenyl)propane, 4-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol, 4-(3-(4-hydroxyphenyl)propyl)-2-(3-methylbut-2-enyl)benzene-1,3-diol, CHEMBL457263, SCHEMBL6819084, WZEOJTUGVWIAGT-UHFFFAOYSA-N, 376362-00-4 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 367.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P11511 |
| Iupac Name | 4-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 5.5 |
| Molecular Formula | C20H24O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WZEOJTUGVWIAGT-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -3.484 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.759 |
| Compound Name | 1-(2,4-Dihydroxy-3-Prenylphenyl)-3-(4-Hydroxyphenyl)Propane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 312.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.257222756521739 |
| Inchi | InChI=1S/C20H24O3/c1-14(2)6-12-18-19(22)13-9-16(20(18)23)5-3-4-15-7-10-17(21)11-8-15/h6-11,13,21-23H,3-5,12H2,1-2H3 |
| Smiles | CC(=CCC1=C(C=CC(=C1O)CCCC2=CC=C(C=C2)O)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Broussonetia Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all