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Podocarpusflavone B

PubChem CID: 5320646

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Compound Synonyms putraflavone, 23624-21-7, Podocarpusflavone B, 5,7-Dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methoxyphenyl)chromen-4-one, 4''',7-Di-O-methylamentoflavone, DTXSID60178299, 3''',8-Biflavone, 4''',5,'',7-tetrahydroxy-4',7''-dimethoxy-, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)phenyl]-2-(4-methoxyphenyl)-, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-(2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)phenyl)-2-(4-methoxyphenyl)-, Podocarpusflavon-B, DTXCID40100790, 4',7''-Di-O-methylamentoflavone, HY-N1575, YAA62421, AKOS032948511, FS-9637, DA-57242, CS-0017124, AA-504/20869005, 5,7-dihydroxy-8-(2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)phenyl)-2-(4-methoxyphenyl)-4H-chromen-4-one, 5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-chromen-2-yl)phenyl]-2-(4-methoxyphenyl)chromen-4-one
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 152.0
Hydrogen Bond Donor Count 4.0
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)))OC
Heavy Atom Count 42.0
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 1080.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P56817, n.a.
Iupac Name 5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methoxyphenyl)chromen-4-one
Prediction Hob 0.0
Veber Rule False
Classyfire Superclass Phenylpropanoids and polyketides
Target Id NPT740
Xlogp 5.7
Gsk 4 400 Rule False
Molecular Formula C32H22O10
Scaffold Graph Node Bond Level O=c1cc(-c2cccc(-c3cccc4c(=O)cc(-c5ccccc5)oc34)c2)oc2ccccc12
Prediction Swissadme 0.0
Inchi Key GZTVUTQZSAZUIY-UHFFFAOYSA-N
Silicos It Class Insoluble
Fcsp3 0.0625
Logs -4.51
Rotatable Bond Count 5.0
Logd 2.517
Synonyms podocarpus flavone b, podocarpusflavone b, putraflavone
Esol Class Poorly soluble
Functional Groups c=O, cO, cOC, coc
Compound Name Podocarpusflavone B
Prediction Hob Swissadme 0.0
Exact Mass 566.121
Formal Charge 0.0
Monoisotopic Mass 566.121
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 566.5
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 -6.175521123809525
Inchi InChI=1S/C32H22O10/c1-39-17-6-3-15(4-7-17)26-14-25(38)31-23(36)12-22(35)29(32(31)42-26)19-9-16(5-8-20(19)33)27-13-24(37)30-21(34)10-18(40-2)11-28(30)41-27/h3-14,33-36H,1-2H3
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)OC)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