Glepidotin C
PubChem CID: 442703
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Glepidotin C, 126026-25-3, 2-(2-hydroxy-3-methylbut-3-enyl)-5-(2-phenylethyl)benzene-1,3-diol, CHEBI:5382, DTXSID10331918, LMPK13090037, Q27106745 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 337.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-hydroxy-3-methylbut-3-enyl)-5-(2-phenylethyl)benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C19H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NOPHUFYTJFIALJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -3.211 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.602 |
| Compound Name | Glepidotin C |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 298.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 298.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.412904763636363 |
| Inchi | InChI=1S/C19H22O3/c1-13(2)17(20)12-16-18(21)10-15(11-19(16)22)9-8-14-6-4-3-5-7-14/h3-7,10-11,17,20-22H,1,8-9,12H2,2H3 |
| Smiles | CC(=C)C(CC1=C(C=C(C=C1O)CCC2=CC=CC=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Lepidota (Plant) Rel Props:Source_db:cmaup_ingredients