Heliannuol D
PubChem CID: 11425230
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| Compound Synonyms | Heliannuol D, 2-(2-hydroxypropan-2-yl)-5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol, (+)-Heliannuol D, 161730-09-2, CHEBI:174299, 5,10-Epoxy-1,3,5-bisabolatriene-2,11-diol |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Description | Constituent of Helianthus annuus (sunflower). Heliannuol D is found in sunflower and fats and oils. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-hydroxypropan-2-yl)-5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol |
| Nih Violation | False |
| Class | Benzoxepines |
| Xlogp | 3.0 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Molecular Formula | C15H22O3 |
| Inchi Key | BIIJJHXLFCDTIZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | (+)-Heliannuol D, 2'-Deoxytetrahydrouridine, 3,4,5,6-Tetrahydrodeoxyuridine, 5,10-Epoxy-1,3,5-bisabolatriene-2,11-diol, Heliannuol D, Tetrahydro-2'-deoxyuridine, THDU, 8-C-Ascorbyl epigallocatechin 3-O-gallate, 8-C-Ascorbylepigallocatechin 3-O-gallate, 13-(1,2-Dihydroxyethyl)-8,12,16-trihydroxy-15-oxo-4-(3,4,5-trihydroxyphenyl)-3,11,14-trioxatetracyclo[8.6.0.0²,⁷.0¹²,¹⁶]hexadeca-1(10),2(7),8-trien-5-yl 3,4,5-trihydroxybenzoic acid, 8-C-Ascorbylepigallocatechin 3-gallic acid |
| Compound Name | Heliannuol D |
| Kingdom | Organic compounds |
| Exact Mass | 250.157 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 250.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 250.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C15H22O3/c1-9-5-6-14(15(3,4)17)18-13-7-10(2)12(16)8-11(9)13/h7-9,14,16-17H,5-6H2,1-4H3 |
| Smiles | CC1CCC(OC2=C1C=C(C(=C2)C)O)C(C)(C)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Benzoxepines |
- 1. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all