Sophoraflavanone A

PubChem CID: 6475921

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Compound Synonyms	SOPHORAFLAVANONE A, 8-geranylnaringenin, Sophorafavanone A, CHEBI:70023, CHEMBL490697, 87893-18-3, (2S)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one, (2S)-8-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one, YS05, CG902, (2S)-8-((2E)-3,7-dimethylocta-2,6-dien-1-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one, (2S)-8-((2E)-3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one, 8-((2E)-3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one, 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one, DTXSID901315607, GLXC-10474, BDBM50339156, Q27138365, (S)-8-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one, (2S)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	87.0
Hydrogen Bond Donor Count	3.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC(C2CCCCC2)CC2CCCCC12
Np Classifier Class	Flavanones
Deep Smiles	C/C=CCccO)cccc6O[C@@H]CC6=O)))cccccc6))O)))))))))O)))))))/CCC=CC)C
Heavy Atom Count	30.0
Classyfire Class	Flavonoids
Scaffold Graph Node Level	OC1CC(C2CCCCC2)OC2CCCCC12
Classyfire Subclass	Flavans
Isotope Atom Count	0.0
Molecular Complexity	642.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	1.0
Uniprot Id	Q9UNQ0
Iupac Name	(2S)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Target Id	NPT1422
Xlogp	6.2
Gsk 4 400 Rule	False
Molecular Formula	C25H28O5
Scaffold Graph Node Bond Level	O=C1CC(c2ccccc2)Oc2ccccc21
Prediction Swissadme	0.0
Inchi Key	GOAUTULGLLBZSR-YLLUOSTHSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.32
Logs	-2.764
Rotatable Bond Count	6.0
Logd	4.26
Synonyms	sophoraflavanone a
Esol Class	Poorly soluble
Functional Groups	C/C=C(/C)C, CC=C(C)C, cC(C)=O, cO, cOC
Compound Name	Sophoraflavanone A
Prediction Hob Swissadme	0.0
Exact Mass	408.194
Formal Charge	0.0
Monoisotopic Mass	408.194
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	408.5
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	1.0
Lipinski Rule Of 5	True
Esol	-6.159762800000001
Inchi	InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-21(28)24-22(29)14-23(30-25(19)24)17-8-10-18(26)11-9-17/h5,7-11,13,23,26-28H,4,6,12,14H2,1-3H3/b16-7+/t23-/m0/s1
Smiles	CC(=CCC/C(=C/CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)/C)C
Nring	3.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	1.0
Egan Rule	True
Np Classifier Superclass	Flavonoids

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89. Outgoing r'ship FOUND_IN to/from Sophora Tomentosa (Plant) Rel Props:Reference:ISBN:9788185042114
90. Outgoing r'ship FOUND_IN to/from Sorghum Bicolor (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Torenia Bicolor (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Tragia Bicolor (Plant) Rel Props:Reference:

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Sophoraflavanone A

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Phytochemical Properties

Associated Connections 92

Plant Connections 92