5-[(E)-14-(3,5-dihydroxyphenyl)tetradec-8-enyl]benzene-1,3-diol
PubChem CID: 10093115
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| Compound Synonyms | CHEMBL218716 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 432.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(E)-14-(3,5-dihydroxyphenyl)tetradec-8-enyl]benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 8.3 |
| Molecular Formula | C26H36O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | INRCFVYVWPWZJS-HNQUOIGGSA-N |
| Fcsp3 | 0.4615384615384615 |
| Logs | -2.787 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.595 |
| Compound Name | 5-[(E)-14-(3,5-dihydroxyphenyl)tetradec-8-enyl]benzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 412.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 412.261 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 412.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.986333999999999 |
| Inchi | InChI=1S/C26H36O4/c27-23-15-21(16-24(28)19-23)13-11-9-7-5-3-1-2-4-6-8-10-12-14-22-17-25(29)20-26(30)18-22/h1,3,15-20,27-30H,2,4-14H2/b3-1+ |
| Smiles | C1=C(C=C(C=C1O)O)CCCCCCC/C=C/CCCCCC2=CC(=CC(=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Grevillea Robusta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all