5-[(7E,10E)-16-(3,5-dihydroxyphenyl)hexadeca-7,10-dienyl]benzene-1,3-diol
PubChem CID: 101023288
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| Topological Polar Surface Area | 80.9 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 498.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(7E,10E)-16-(3,5-dihydroxyphenyl)hexadeca-7,10-dienyl]benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 8.7 |
| Molecular Formula | C28H38O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | INNVZBQBNNATQV-ASPVKUGASA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -2.451 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.774 |
| Compound Name | 5-[(7E,10E)-16-(3,5-dihydroxyphenyl)hexadeca-7,10-dienyl]benzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 438.277 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 438.277 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 438.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -7.315269600000002 |
| Inchi | InChI=1S/C28H38O4/c29-25-17-23(18-26(30)21-25)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-24-19-27(31)22-28(32)20-24/h1,3-4,6,17-22,29-32H,2,5,7-16H2/b3-1+,6-4+ |
| Smiles | C1=C(C=C(C=C1O)O)CCCCCC/C=C/C/C=C/CCCCCC2=CC(=CC(=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Grevillea Robusta (Plant) Rel Props:Source_db:cmaup_ingredients