(2R)-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol
PubChem CID: 76971722
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| Compound Synonyms | CHEMBL5409297, SCHEMBL22095394 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 422.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 6.9 |
| Molecular Formula | C21H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UVOLYTDXHDXWJU-OAQYLSRUSA-N |
| Fcsp3 | 0.5238095238095238 |
| Logs | -6.553 |
| Rotatable Bond Count | 7.0 |
| Logd | 5.32 |
| Compound Name | (2R)-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 314.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.84255127826087 |
| Inchi | InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3/t21-/m1/s1 |
| Smiles | CCCCCC1=CC(=C2C=C[C@@](OC2=C1)(C)CCC=C(C)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glochidion Eriocarpum (Plant) Rel Props:Source_db:cmaup_ingredients