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1,4,5-Trihydroxy-3-prenylxanthone

PubChem CID: 15127377

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Compound Synonyms 1,4,5-Trihydroxy-3-prenylxanthone, CHEMBL188061, CHEBI:174994, DTXSID401187821, BDBM50155430, 136364-72-2, 1,4,5-trihydroxy-3-(3-methylbut-2-enyl)xanthen-9-one, 1,4,5-Trihydroxy-3-(3-methyl-but-2-enyl)-xanthen-9-one, 1,4,5-trihydroxy-3-(3-methylbut-2-enyl)-9 h-xanthen-9-one, 1,4,5-trihydroxy-3-(3-methylbut-2-enyl)-9h-xanthen-9-one, 1,4,5-Trihydroxy-3-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one, 1,4,5-Trihydroxy-3-(3-methyl-2-butenyl)-9H-xanthen-9-one, 9CI, 1,4,5-trihydroxy-3-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Topological Polar Surface Area 87.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 23.0
Description Constituent of the root bark of Garcinia livingstonei (imbe). 1,4,5-Trihydroxy-3-prenylxanthone is found in fruits.
Isotope Atom Count 0.0
Molecular Complexity 484.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P21397
Iupac Name 1,4,5-trihydroxy-3-(3-methylbut-2-enyl)xanthen-9-one
Prediction Hob 1.0
Target Id NPT261
Xlogp 4.4
Molecular Formula C18H16O5
Prediction Swissadme 0.0
Inchi Key BRVVGOBMRRGKCK-UHFFFAOYSA-N
Fcsp3 0.1666666666666666
Logs -3.312
Rotatable Bond Count 2.0
Logd 2.63
Synonyms 1,4,5-Trihydroxy-3-(3-methyl-2-butenyl)-9H-xanthen-9-one, 9CI
Compound Name 1,4,5-Trihydroxy-3-prenylxanthone
Prediction Hob Swissadme 0.0
Exact Mass 312.1
Formal Charge 0.0
Monoisotopic Mass 312.1
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 312.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -5.194424982608696
Inchi InChI=1S/C18H16O5/c1-9(2)6-7-10-8-13(20)14-16(22)11-4-3-5-12(19)17(11)23-18(14)15(10)21/h3-6,8,19-21H,7H2,1-2H3
Smiles CC(=CCC1=CC(=C2C(=C1O)OC3=C(C2=O)C=CC=C3O)O)C
Nring 3.0
Defined Bond Stereocenter Count 0.0