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(+/-)-Leachianone G

PubChem CID: 11810419

Connections displayed (default: 10).
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Compound Synonyms (+/-)-Leachianone G, SCHEMBL6544629, CHEMBL1783937, CGA46478
Topological Polar Surface Area 107.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 26.0
Isotope Atom Count 0.0
Molecular Complexity 542.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Prediction Hob 1.0
Xlogp 4.0
Molecular Formula C20H20O6
Prediction Swissadme 0.0
Inchi Key VBOYLFNGTSLAAZ-UHFFFAOYSA-N
Fcsp3 0.25
Logs -3.602
Rotatable Bond Count 3.0
Logd 3.149
Compound Name (+/-)-Leachianone G
Prediction Hob Swissadme 0.0
Exact Mass 356.126
Formal Charge 0.0
Monoisotopic Mass 356.126
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 356.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -4.687857261538462
Inchi InChI=1S/C20H20O6/c1-10(2)3-5-13-15(23)8-16(24)19-17(25)9-18(26-20(13)19)12-6-4-11(21)7-14(12)22/h3-4,6-8,18,21-24H,5,9H2,1-2H3
Smiles CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)O)C
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Abies Alba (Plant) Rel Props:Reference:
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  • 9. Outgoing r'ship FOUND_IN to/from Chiococca Alba (Plant) Rel Props:Reference:
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  • 21. Outgoing r'ship FOUND_IN to/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 63. Outgoing r'ship FOUND_IN to/from Xanthophyllum Flavescens (Plant) Rel Props:Reference: