Caledonixanthone E
PubChem CID: 5464634
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Caledonixanthone E, 6,11-dihydroxy-5-methoxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one, 6,11-dihydroxy-5-methoxy-3,3-dimethylpyrano(2,3-c)xanthen-7-one, Caledoni-xanthone e, 6,11-dihydroxy-5-methoxy-3,3-dimethyl-pyrano[2,3-c]xanthen-7-one, 416848-70-9 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 572.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,11-dihydroxy-5-methoxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C19H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZIEUXPKJRAAADX-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -3.759 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.965 |
| Compound Name | Caledonixanthone E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 340.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 340.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.9696522000000005 |
| Inchi | InChI=1S/C19H16O6/c1-19(2)8-7-10-16-12(14(22)18(23-3)17(10)25-19)13(21)9-5-4-6-11(20)15(9)24-16/h4-8,20,22H,1-3H3 |
| Smiles | CC1(C=CC2=C3C(=C(C(=C2O1)OC)O)C(=O)C4=C(O3)C(=CC=C4)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calophyllum Caledonicum (Plant) Rel Props:Source_db:cmaup_ingredients