Performone B
PubChem CID: 11608981
Connections displayed (default: 10).
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| Compound Synonyms | Performone B, CHEBI:66730, Perforamone B, CHEMBL2204371, Q27135352, 5-hydroxy-8-(1-hydroxy-3-methylbut-3-enyl)-7-methoxy-2-methylchromen-4-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 456.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-8-(1-hydroxy-3-methylbut-3-enyl)-7-methoxy-2-methylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C16H18O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NECCMSLPKRWTRS-UHFFFAOYSA-N |
| Fcsp3 | 0.3125 |
| Logs | -3.132 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.15 |
| Compound Name | Performone B |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 290.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 290.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.095433952380952 |
| Inchi | InChI=1S/C16H18O5/c1-8(2)5-10(17)15-13(20-4)7-12(19)14-11(18)6-9(3)21-16(14)15/h6-7,10,17,19H,1,5H2,2-4H3 |
| Smiles | CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC)C(CC(=C)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Harrisonia Abyssinica (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Harrisonia Bennettii (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Harrisonia Perforata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Parmelia Perforata (Plant) Rel Props:Reference: