isocudraniaxanthone A
PubChem CID: 10687703
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| Compound Synonyms | isocudraniaxanthone A, 197447-26-0, 1,3,5,6-tetrahydroxy-4-(2-methylbut-3-en-2-yl)xanthen-9-one, CHEMBL462901, HY-N8455, XHA44726, AKOS040761877, CS-0144293 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | GXZSMOZDSUSQHH-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Compound Name | isocudraniaxanthone A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.095 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 518.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 328.3 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,5,6-tetrahydroxy-4-(2-methylbut-3-en-2-yl)xanthen-9-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -5.0606506666666675 |
| Inchi | InChI=1S/C18H16O6/c1-4-18(2,3)13-11(21)7-10(20)12-14(22)8-5-6-9(19)15(23)16(8)24-17(12)13/h4-7,19-21,23H,1H2,2-3H3 |
| Smiles | CC(C)(C=C)C1=C(C=C(C2=C1OC3=C(C2=O)C=CC(=C3O)O)O)O |
| Xlogp | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C18H16O6 |
- 1. Outgoing r'ship
FOUND_INto/from Cudrania Tricuspidata (Plant) Rel Props:Source_db:cmaup_ingredients