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Yinyanghuo D

PubChem CID: 5315396

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Compound Synonyms Yinyanghuo D, CHEMBL229671, 174286-25-0, 5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-(3-methyl-2-butenyl)phenyl)-, 3''-prenylnaringenin, SCHEMBL4704611, DTXSID20152358, CHEBI:187282, BDBM50212401, LMPK12110415, FP137765, 5,7,4'-Trihydroxy-3'-C-prenylflavanone, 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxy-3-(3-methyl-2-butenyl)phenyl)-, (S)-
Topological Polar Surface Area 87.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 562.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P18031
Iupac Name 5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
Prediction Hob 1.0
Target Id NPT178
Xlogp 3.7
Molecular Formula C20H18O5
Prediction Swissadme 0.0
Inchi Key PFQMUQWFRINBBG-UHFFFAOYSA-N
Fcsp3 0.15
Logs -3.3
Rotatable Bond Count 3.0
Logd 3.038
Compound Name Yinyanghuo D
Prediction Hob Swissadme 0.0
Exact Mass 338.115
Formal Charge 0.0
Monoisotopic Mass 338.115
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 338.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.6074258
Inchi InChI=1S/C20H18O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-10,21-23H,4H2,1-2H3
Smiles CC(=CCC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)C
Nring 3.0
Defined Bond Stereocenter Count 0.0