1,6-Dihydroxy-3-methoxy-2-prenylxanthone
PubChem CID: 14162675
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| Compound Synonyms | 1,6-Dihydroxy-3-methoxy-2-prenylxanthone, SCHEMBL3416379, CHEBI:175159, DTXSID101166296, 119227-98-4, 1,6-dihydroxy-3-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one, 1,6-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Description | Constituent of Garcinia mangostana (mangosteen). 1,6-Dihydroxy-3-methoxy-2-prenylxanthone is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 498.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,6-dihydroxy-3-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C19H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QKSNMZWDGXOPMT-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -3.386 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.976 |
| Synonyms | 1,6-Dihydroxy-3-methoxy-2-prenylxanthone |
| Compound Name | 1,6-Dihydroxy-3-methoxy-2-prenylxanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 326.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.404524266666666 |
| Inchi | InChI=1S/C19H18O5/c1-10(2)4-6-12-14(23-3)9-16-17(18(12)21)19(22)13-7-5-11(20)8-15(13)24-16/h4-5,7-9,20-21H,6H2,1-3H3 |
| Smiles | CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C=C3)O)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aster Bellidiastrum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dolomiaea Souliei (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Garcinia Mangostana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Halimodendron Halodendron (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Lonicera Hypoleuca (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Nicotiana Sylvestris (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Senecio Vellereus (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Serpocaulon Triseriale (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Wibelia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients