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Podocarpusflavone A

PubChem CID: 5320644

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Compound Synonyms Podocarpusflavone A, 22136-74-9, 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one, 41583-83-9, 8-(5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one, 8-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one, Podocarpusflavonea, 8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one, Mono-O-methylamentoflavone, Amentoflavone-4'-methyl ether, SCHEMBL25937932, DTXSID10944784, CHEBI:191156, HY-N2198, AKOS032962454, CS-5764, FP74971, 4H-1-Benzopyran-4-one, 8-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, monomethyl ether, DA-76968, MS-30092, E80809, AA-504/20869004, 4H-1-Benzopyran-4-one, 8-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-methoxyphenyl)-, 8-[5-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 163.0
Hydrogen Bond Donor Count 5.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CC(C2CCCC(C3CCCC4C(C)CC(C5CCCCC5)CC43)C2)CC2CCCCC12
Np Classifier Class Flavones
Deep Smiles COcccccc6))ccc=O)cco6)cccc6O)))O))cccccc6O))))ccc=O)cco6)cccc6O)))O
Heavy Atom Count 41.0
Classyfire Class Flavonoids
Scaffold Graph Node Level OC1CC(C2CCCC(C3CCCC4C(O)CC(C5CCCCC5)OC43)C2)OC2CCCCC12
Classyfire Subclass Biflavonoids and polyflavonoids
Isotope Atom Count 0.0
Molecular Complexity 1060.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P43235, P56817, n.a., P35520, P32929, P05067
Iupac Name 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
Prediction Hob 0.0
Veber Rule False
Classyfire Superclass Phenylpropanoids and polyketides
Target Id NPT740, NPT4717, NPT78
Xlogp 5.4
Gsk 4 400 Rule False
Molecular Formula C31H20O10
Scaffold Graph Node Bond Level O=c1cc(-c2cccc(-c3cccc4c(=O)cc(-c5ccccc5)oc34)c2)oc2ccccc12
Prediction Swissadme 0.0
Inchi Key RBTRUVNXLDXHBJ-UHFFFAOYSA-N
Silicos It Class Poorly soluble
Fcsp3 0.032258064516129
Logs -4.444
Rotatable Bond Count 4.0
Logd 2.437
Synonyms mono-o-methylamentoflavone, podocarpusflavone a, podocarpusflavone-a
Esol Class Poorly soluble
Functional Groups c=O, cO, cOC, coc
Compound Name Podocarpusflavone A
Prediction Hob Swissadme 0.0
Exact Mass 552.106
Formal Charge 0.0
Monoisotopic Mass 552.106
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 552.5
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 False
Esol -5.960405175609758
Inchi InChI=1S/C31H20O10/c1-39-17-5-2-14(3-6-17)25-13-24(38)30-22(36)11-21(35)28(31(30)41-25)18-8-15(4-7-19(18)33)26-12-23(37)29-20(34)9-16(32)10-27(29)40-26/h2-13,32-36H,1H3
Smiles COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
Nring 6.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Flavonoids

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  • 12. Outgoing r'ship FOUND_IN to/from Juniperus Polycarpos (Plant) Rel Props:Reference:ISBN:9770972795006
  • 13. Outgoing r'ship FOUND_IN to/from Juniperus Rigida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Mammea Longifolia (Plant) Rel Props:Reference:ISBN:9788172362461
  • 15. Outgoing r'ship FOUND_IN to/from Manihot Esculenta (Plant) Rel Props:Reference:ISBN:9788185042084
  • 16. Outgoing r'ship FOUND_IN to/from Pinus Longifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Podocarpus Macrophyllus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Podocarpus Neriifolius (Plant) Rel Props:Reference:ISBN:9788172362461; ISBN:9788185042145
  • 19. Outgoing r'ship FOUND_IN to/from Quercus Canariensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Sciadotenia Toxifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Selaginella Moellendorffii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Soulamea Pancheri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 26. Outgoing r'ship FOUND_IN to/from Zanthoxylum Podocarpum (Plant) Rel Props:Source_db:npass_chem_all
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