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Ermanin

PubChem CID: 5352001

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Compound Synonyms Ermanin, 20869-95-8, 5,7-Dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one, 3,4'-Dimethoxychrysin, 5,7-Dihydroxy-3,4'-dimethoxyflavone, 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-, Kaempferol 3,4'-di-O-methyl ether, NSC-31882, Kaempferol-3,4'-dimethylether, Kaempferol-3,4'-dimethyl ether, 3,4'-dimethylkaempferol, NSC31882, 5,7-Dihydroxy-3-methoxy-2-(4-methoxy-phenyl)-chromen-4-one, CHEMBL309061, 5,7-Dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4-benzopyrone, Kaempferol 3,4'-dimethyl ether, 850D90YJN3, 3,4'-O-dimethylkaempferol, Chrysin,4'-dimethoxy-, 3,4'-dimethoxykaempferol, Chrysin, 3,4'-dimethoxy-, UNII-850D90YJN3, MEGxp0_000250, SCHEMBL2875089, DTXSID90174986, CHEBI:146142, HY-N3848, EINECS 244-093-8, BDBM50240619, LMPK12112697, NSC 31882, kaempferol-3,4''-di-O-methyl ether, 3,4'-dimethoxy-5,7-dihydroxyflavone, AKOS015963884, FK66303, FS-9547, 5,7-dihydroxy-3,4''-dimethoxyflavone, NCI60_002742, DB-045411, CS-0024327, NS00026755, 3,4'-Dimethoxy-5,7-dihydroxyflavone, Ermanin, G85790, Q3056707, 5,7-Dihydroxy-3-methoxy-2-(4-methoxy-phenyl)chromen-4-one, 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 5,7-Dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one #
Topological Polar Surface Area 85.2
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 23.0
Isotope Atom Count 0.0
Molecular Complexity 479.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a., P08684, P10635
Iupac Name 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one
Prediction Hob 1.0
Target Id NPT109, NPT110
Xlogp 2.5
Molecular Formula C17H14O6
Prediction Swissadme 0.0
Inchi Key RJCJVIFSIXKSAH-UHFFFAOYSA-N
Fcsp3 0.1176470588235294
Logs -3.232
Rotatable Bond Count 3.0
Logd 2.479
Compound Name Ermanin
Prediction Hob Swissadme 0.0
Exact Mass 314.079
Formal Charge 0.0
Monoisotopic Mass 314.079
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 314.29
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.7370992086956525
Inchi InChI=1S/C17H14O6/c1-21-11-5-3-9(4-6-11)16-17(22-2)15(20)14-12(19)7-10(18)8-13(14)23-16/h3-8,18-19H,1-2H3
Smiles COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Amaranthus Hypochondriacus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Berberis Repens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Croton Laccifer (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Diphasiastrum Thyoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Euphorbia Myrsinites (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Helicteres Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Hippeastrum Papilio (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Limnocharis Flava (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Millettia Ferruginea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Onopordum Algeriense (Plant) Rel Props:Source_db:npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Sedum Litoreum (Plant) Rel Props:Source_db:npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Senecio Viscosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Tanacetum Microphyllum (Plant) Rel Props:Source_db:npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Teucrium Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Thermopsis Dolichocarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Vicia Amurensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Wyethia Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Zanthoxylum Fraxineum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Zingiber Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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