4-Prenyldihydropinosylvin
PubChem CID: 442715
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| Compound Synonyms | 4-Prenyldihydropinosylvin, 70610-11-6, 2-(3-methylbut-2-enyl)-5-(2-phenylethyl)benzene-1,3-diol, CHEBI:1926, SCHEMBL4742069, CHEMBL5272896, DTXSID60331923, C19H22O2, LMPK13090041, 3,5-dihydroxy-4-(3-methyl-2-butenyl)bibenzyl, Q27105528 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 314.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-methylbut-2-enyl)-5-(2-phenylethyl)benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C19H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WRBJIPNZGJUCOJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -3.997 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.608 |
| Compound Name | 4-Prenyldihydropinosylvin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 282.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.054131742857142 |
| Inchi | InChI=1S/C19H22O2/c1-14(2)8-11-17-18(20)12-16(13-19(17)21)10-9-15-6-4-3-5-7-15/h3-8,12-13,20-21H,9-11H2,1-2H3 |
| Smiles | CC(=CCC1=C(C=C(C=C1O)CCC2=CC=CC=C2)O)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Lepidota (Plant) Rel Props:Source_db:cmaup_ingredients