Heliannuol C
PubChem CID: 131751670
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| Compound Synonyms | Heliannuol C, (-)-Heliannuol C, CHEBI:138769 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | DYXGWEYZDXILMS-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | (-)-Heliannuol C |
| Heavy Atom Count | 18.0 |
| Compound Name | Heliannuol C |
| Description | Constituent of Helianthus annuus (sunflower). Heliannuol C is found in sunflower and fats and oils. |
| Exact Mass | 248.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.141 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 313.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 248.32 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-ethenyl-2,2,8-trimethyl-4,5-dihydro-3H-1-benzoxepine-3,7-diol |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H20O3/c1-5-10-7-14(17)15(3,4)18-13-6-9(2)12(16)8-11(10)13/h5-6,8,10,14,16-17H,1,7H2,2-4H3 |
| Smiles | CC1=CC2=C(C=C1O)C(CC(C(O2)(C)C)O)C=C |
| Xlogp | 2.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H20O3 |
- 1. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all