2,5-Dihydroxybisabola-3,10-diene
PubChem CID: 157009920
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| Compound Synonyms | 2,5-Dihydroxybisabola-3,10-diene |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | FPSDOHYYKFXKFR-CQFAYMELSA-N |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 17.0 |
| Compound Name | 2,5-Dihydroxybisabola-3,10-diene |
| Description | 2,5-dihydroxybisabola-3,10-diene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2,5-dihydroxybisabola-3,10-diene can be found in turmeric, which makes 2,5-dihydroxybisabola-3,10-diene a potential biomarker for the consumption of this food product. |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 300.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,4S)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-ene-1,4-diol |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H26O2/c1-10(2)6-5-7-11(3)13-9-14(16)12(4)8-15(13)17/h6,8,11,13-17H,5,7,9H2,1-4H3/t11-,13?,14+,15+/m0/s1 |
| Smiles | CC1=C[C@H](C(C[C@H]1O)[C@@H](C)CCC=C(C)C)O |
| Xlogp | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H26O2 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:fooddb_chem_all