Myricanol
PubChem CID: 5319978
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| Compound Synonyms | Myricanol, (+/-)-Myricanol, 16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol, Tricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, 16,17-dimethoxy-, (R)-, (9R)-16,17-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, MFCD00210533, SCHEMBL21693006, CHEBI:182077, AKOS032948796, (+/-)-Myricanol, (HPLC), 95%, NCGC00380288-01, 68510-47-4, (9R)-16,17-dimethoxytricyclo[12.3.1.1^{2,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol, NCGC00380288-01_C21H26O5_Tricyclo[12.3.1.1~2,6~]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, 16,17-dimethoxy- |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | SBGBAZQAEOWGFT-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | 16,17-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, 9CI |
| Heavy Atom Count | 26.0 |
| Compound Name | Myricanol |
| Description | Myricanol is a member of the class of compounds known as meta,meta-bridged biphenyls. Meta,meta-bridged biphenyls are cyclic diarylheptanoids where the two aryl groups are linked to each other by an ether group conjugated to their 3-position. Myricanol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Myricanol can be found in anise, which makes myricanol a potential biomarker for the consumption of this food product. |
| Exact Mass | 358.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.178 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 431.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 358.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C21H26O5/c1-25-20-17-12-14(19(24)21(20)26-2)5-3-4-6-15(22)9-7-13-8-10-18(23)16(17)11-13/h8,10-12,15,22-24H,3-7,9H2,1-2H3 |
| Smiles | COC1=C2C=C(CCCCC(CCC3=CC2=C(C=C3)O)O)C(=C1OC)O |
| Xlogp | 4.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C21H26O5 |
- 1. Outgoing r'ship
FOUND_INto/from Pimpinella Anisum (Plant) Rel Props:Source_db:fooddb_chem_all