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Cudraxanthone G

PubChem CID: 42645953

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Compound Synonyms cudraxanthone G, CHEMBL494664, 1,5-dihydroxy-3-methoxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one, 130774-35-5
Topological Polar Surface Area 76.0
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 29.0
Isotope Atom Count 0.0
Molecular Complexity 646.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P11511
Iupac Name 1,5-dihydroxy-3-methoxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
Prediction Hob 1.0
Xlogp 6.6
Molecular Formula C24H26O5
Prediction Swissadme 0.0
Inchi Key IOCHCPAWAFKZJS-UHFFFAOYSA-N
Fcsp3 0.2916666666666667
Logs -2.909
Rotatable Bond Count 5.0
Logd 3.642
Compound Name Cudraxanthone G
Prediction Hob Swissadme 0.0
Exact Mass 394.178
Formal Charge 0.0
Monoisotopic Mass 394.178
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 394.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -6.830036779310346
Inchi InChI=1S/C24H26O5/c1-13(2)9-11-16-21(27)19-20(26)15-7-6-8-18(25)23(15)29-24(19)17(22(16)28-5)12-10-14(3)4/h6-10,25,27H,11-12H2,1-5H3
Smiles CC(=CCC1=C(C2=C(C(=C1OC)CC=C(C)C)OC3=C(C2=O)C=CC=C3O)O)C
Nring 3.0
Defined Bond Stereocenter Count 0.0