Laurentixanthone B
PubChem CID: 16081684
Connections displayed (default: 10).
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| Compound Synonyms | Laurentixanthone B, 8-hydroxy-1,2,3,4-tetramethoxyxanthen-9-one, 1-hydroxy-5,6,7,8-tetramethoxyxanthone |
|---|---|
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 456.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxy-1,2,3,4-tetramethoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UCQGYGZMFYUAGY-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.236 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.426 |
| Compound Name | Laurentixanthone B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 332.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.329676266666666 |
| Inchi | InChI=1S/C17H16O7/c1-20-13-11-12(19)10-8(18)6-5-7-9(10)24-14(11)16(22-3)17(23-4)15(13)21-2/h5-7,18H,1-4H3 |
| Smiles | COC1=C(C(=C(C2=C1C(=O)C3=C(C=CC=C3O2)O)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vismia Laurentii (Plant) Rel Props:Source_db:cmaup_ingredients