1,7-Dihydroxy-3,6-dimethoxy-2,8-diprenylxanthone
PubChem CID: 14777483
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| Compound Synonyms | CHEMBL3421823, 1,7-Dihydroxy-3,6-dimethoxy-2,8-diprenylxanthone, CHEBI:175412, DTXSID401144142, BDBM50370162, 132031-39-1, 1,7-dihydroxy-3,6-dimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one, 1,7-Dihydroxy-3,6-dimethoxy-2,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Description | Constituent of Garcinia mangostana (mangosteen). 1,7-Dihydroxy-3,6-dimethoxy-2,8-diprenylxanthone is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 692.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,7-dihydroxy-3,6-dimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one |
| Prediction Hob | 1.0 |
| Class | Benzopyrans |
| Target Id | NPT156 |
| Xlogp | 6.6 |
| Superclass | Organoheterocyclic compounds |
| Subclass | 1-benzopyrans |
| Molecular Formula | C25H28O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WDOPYKHYPKRXRJ-UHFFFAOYSA-N |
| Fcsp3 | 0.32 |
| Logs | -4.391 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.586 |
| Synonyms | 1,7-Dihydroxy-3,6-dimethoxy-2,8-diprenylxanthone |
| Substituent Name | 8-prenylated xanthone, 2-prenylated xanthone, Chromone, Methoxyphenol, Anisole, Pyranone, Alkyl aryl ether, Benzenoid, Pyran, Heteroaromatic compound, Vinylogous acid, Oxacycle, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Compound Name | 1,7-Dihydroxy-3,6-dimethoxy-2,8-diprenylxanthone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 424.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.908250148387097 |
| Inchi | InChI=1S/C25H28O6/c1-13(2)7-9-15-17(29-5)11-19-22(24(15)27)25(28)21-16(10-8-14(3)4)23(26)20(30-6)12-18(21)31-19/h7-8,11-12,26-27H,9-10H2,1-6H3 |
| Smiles | CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)OC)O)CC=C(C)C)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Cowa (Plant) Rel Props:Source_db:cmaup_ingredients