Garciniaxanthone H
PubChem CID: 10065952
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Garciniaxanthone H, CHEBI:65949, 2,5,8-trihydroxy-1-methoxy-4-(2-methylbut-3-en-2-yl)xanthen-9-one, 2,5,8-trihydroxy-1-methoxy-4-(2-methylbut-3-en-2-yl)-9H-xanthen-9-one, SCHEMBL8928225, Q27134450, 184776-34-9 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 532.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5,8-trihydroxy-1-methoxy-4-(2-methylbut-3-en-2-yl)xanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C19H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QRIMPNRPTNBDIP-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.253 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.979 |
| Compound Name | Garciniaxanthone H |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.272251399999999 |
| Inchi | InChI=1S/C19H18O6/c1-5-19(2,3)9-8-12(22)17(24-4)14-15(23)13-10(20)6-7-11(21)18(13)25-16(9)14/h5-8,20-22H,1H2,2-4H3 |
| Smiles | CC(C)(C=C)C1=CC(=C(C2=C1OC3=C(C=CC(=C3C2=O)O)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Subelliptica (Plant) Rel Props:Source_db:cmaup_ingredients