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4-((2E)-3,7-Dimethyl-2,6-octadien-1-yl)-1,3,5-trihydroxy-9H-xanthen-9-one

PubChem CID: 15127379

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Compound Synonyms 136364-54-0, 4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-1,3,5-trihydroxy-9H-xanthen-9-one, 4-((2E)-3,7-Dimethyl-2,6-octadien-1-yl)-1,3,5-trihydroxy-9H-xanthen-9-one, CHEMBL482023, DTXSID601148152
Topological Polar Surface Area 87.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 28.0
Isotope Atom Count 0.0
Molecular Complexity 620.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trihydroxyxanthen-9-one
Prediction Hob 1.0
Xlogp 6.2
Molecular Formula C23H24O5
Prediction Swissadme 0.0
Inchi Key PCKHKINJZFNYEO-GXDHUFHOSA-N
Fcsp3 0.2608695652173913
Logs -2.714
Rotatable Bond Count 5.0
Logd 3.763
Compound Name 4-((2E)-3,7-Dimethyl-2,6-octadien-1-yl)-1,3,5-trihydroxy-9H-xanthen-9-one
Prediction Hob Swissadme 0.0
Exact Mass 380.162
Formal Charge 0.0
Monoisotopic Mass 380.162
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 380.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -6.510128000000001
Inchi InChI=1S/C23H24O5/c1-13(2)6-4-7-14(3)10-11-15-18(25)12-19(26)20-21(27)16-8-5-9-17(24)22(16)28-23(15)20/h5-6,8-10,12,24-26H,4,7,11H2,1-3H3/b14-10+
Smiles CC(=CCC/C(=C/CC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(=CC=C3)O)/C)C
Nring 3.0
Defined Bond Stereocenter Count 1.0