Clusiaphenone B
PubChem CID: 14282626
Connections displayed (default: 10).
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| Compound Synonyms | Clusiaphenone B, SCHEMBL24074940 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 517.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | phenyl-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]methanone |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 6.6 |
| Is Pains | False |
| Molecular Formula | C23H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DGDGUAUJFQUJRX-UHFFFAOYSA-N |
| Fcsp3 | 0.2608695652173913 |
| Rotatable Bond Count | 6.0 |
| Compound Name | Clusiaphenone B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 366.183 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 366.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 366.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.202922288888888 |
| Inchi | InChI=1S/C23H26O4/c1-14(2)10-12-17-21(25)18(13-11-15(3)4)23(27)19(22(17)26)20(24)16-8-6-5-7-9-16/h5-11,25-27H,12-13H2,1-4H3 |
| Smiles | CC(=CCC1=C(C(=C(C(=C1O)C(=O)C2=CC=CC=C2)O)CC=C(C)C)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients