Cariphenone B
PubChem CID: 11358800
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CARIPHENONE B, (5,7-dihydroxy-2,2,6-trimethylchromen-8-yl)-phenylmethanone, CHEMBL456078, 8-benzoyl-5,7-dihydroxy-2,2,6-trimethyl-2H-chromene, 854085-75-9 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | MCPCRGFQHBZYPA-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Compound Name | Cariphenone B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.121 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 478.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 310.3 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5,7-dihydroxy-2,2,6-trimethylchromen-8-yl)-phenylmethanone |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -4.7839507565217385 |
| Inchi | InChI=1S/C19H18O4/c1-11-15(20)13-9-10-19(2,3)23-18(13)14(16(11)21)17(22)12-7-5-4-6-8-12/h4-10,20-21H,1-3H3 |
| Smiles | CC1=C(C2=C(C(=C1O)C(=O)C3=CC=CC=C3)OC(C=C2)(C)C)O |
| Xlogp | 4.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C19H18O4 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Carinatum (Plant) Rel Props:Source_db:cmaup_ingredients