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5-O-Methylxanthone V1

PubChem CID: 12178329

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Compound Synonyms 5-O-Methylxanthone V1, 5,9-dihydroxy-10-methoxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano(3,2-b)xanthen-6-one, 5,9-dihydroxy-10-methoxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one, CHEMBL2147810, 865205-02-3
Topological Polar Surface Area 85.2
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 30.0
Isotope Atom Count 0.0
Molecular Complexity 723.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5,9-dihydroxy-10-methoxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
Prediction Hob 1.0
Xlogp 5.6
Molecular Formula C24H24O6
Prediction Swissadme 0.0
Inchi Key PZHQEWQFKUTZTQ-UHFFFAOYSA-N
Fcsp3 0.2916666666666667
Logs -2.62
Rotatable Bond Count 3.0
Logd 3.849
Compound Name 5-O-Methylxanthone V1
Prediction Hob Swissadme 0.0
Exact Mass 408.157
Formal Charge 0.0
Monoisotopic Mass 408.157
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 408.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -6.4068233333333335
Inchi InChI=1S/C24H24O6/c1-12(2)6-7-15-20-14(10-11-24(3,4)30-20)19(27)17-18(26)13-8-9-16(25)23(28-5)22(13)29-21(15)17/h6,8-11,25,27H,7H2,1-5H3
Smiles CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)C=CC(=C4OC)O)O)C=CC(O2)(C)C)C
Nring 4.0
Defined Bond Stereocenter Count 0.0