7-Hydroxyflavone

PubChem CID: 5281894

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Compound Synonyms	7-Hydroxyflavone, 6665-86-7, 7-Hydroxy-2-phenyl-4H-chromen-4-one, 7-hydroxy-2-phenylchromen-4-one, Flavone, 7-hydroxy-, 4H-1-Benzopyran-4-one, 7-hydroxy-2-phenyl-, 7-Hydroxy-2-phenyl-4-benzopyrone, 7-Hydroxy-2-phenyl-chromen-4-one, NSC-94258, 7-hydroxy flavone, 4H-1-Benzopyran-4-one, 7-hydroxy-, MFCD00006835, NSC 94258, EINECS 229-705-3, CHEBI:2268, ZE72458E4L, HYDROXYFLAVONE, 7-, MLS002695239, CHEMBL276915, 7-Hydroxy-2-phenyl-4H-1-benzopyran-4-one, DTXSID3022328, NSC94258, 7--HYDROXY-2-PHENYL-4-BENZOPYRONE, SR-01000359106, UNII-ZE72458E4L, 7-Hydroxyflavone, 11, 7-Hydroxy-flavone, 5a, 7-hydroxy-2-phenyl-4-oxo-4H-1-benzopyran, 7-Hydroxyflavone (Standard), Oprea1_774070, 7-Hydroxyflavone, >=98%, Flavone, 7-hydroxy-(8CI), BIDD:ER0599, SCHEMBL312148, DTXCID602328, MEGxp0_001698, ACon1_000093, BDBM26664, HY-N7108R, HY-N7108, BBL100067, s5380, STL511043, AKOS000599907, CCG-208393, FH52503, NCGC00163568-01, NCGC00163568-02, NCGC00168801-01, 7-Hydroxy-2-phenyl-4H-chromen-4-one #, AS-19983, SMR000112319, SY048832, SBI-0207061.P001, 7-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran, DB-054948, CS-0081150, H0852, NS00046379, A12739, SR-01000359106-1, SR-01000359106-3, 4H-1-Benzopyran-4-one, 7-hydroxy-2-phenyl-(9CI), BRD-K56450366-001-01-1, BRD-K56450366-001-03-7, Q27105601, 7-Hydroxy-2-phenyl-4H-chromen-4-one, 7-Hydroxy-2-phenylchromone, 229-705-3
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC(C2CCCCC2)CC2CCCCC12
Np Classifier Class	Flavones
Deep Smiles	Occcccc6)occc6=O)))cccccc6
Heavy Atom Count	18.0
Classyfire Class	Flavonoids
Scaffold Graph Node Level	OC1CC(C2CCCCC2)OC2CCCCC12
Classyfire Subclass	Flavones
Isotope Atom Count	0.0
Molecular Complexity	355.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P16116, Q05769, Q9ES14, P27338, P25099, P30543, P0DMS8, P15207, Q965D7, P37058, P18054, P16050, O15296, P11309, P06239, P47989, n.a., P14061, P37059, P04150, P10275, P11511, P05177, P62158, P43140, P08183, O95149, P00915, P00918, Q16790, O43570, P38398, O42275, P81908, Q9NUW8, P05067, P09917, O60218, P15121, Q16678, P09467, Q9HBH9
Iupac Name	7-hydroxy-2-phenylchromen-4-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Target Id	NPT958, NPT967, NPT1587, NPT441, NPT208, NPT947, NPT233, NPT948, NPT949, NPT1270, NPT41, NPT1604
Xlogp	3.6
Gsk 4 400 Rule	True
Molecular Formula	C15H10O3
Scaffold Graph Node Bond Level	O=c1cc(-c2ccccc2)oc2ccccc12
Prediction Swissadme	0.0
Inchi Key	MQGPSCMMNJKMHQ-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.0
Logs	-3.66
Rotatable Bond Count	1.0
Logd	2.997
Synonyms	7-hydroxyflavone, flavone, 7-hydroxy
Esol Class	Moderately soluble
Functional Groups	c=O, cO, coc
Compound Name	7-Hydroxyflavone
Prediction Hob Swissadme	0.0
Exact Mass	238.063
Formal Charge	0.0
Monoisotopic Mass	238.063
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	238.24
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-3.194078177777778
Inchi	InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H
Smiles	C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O
Nring	3.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Flavonoids

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82. Outgoing r'ship FOUND_IN to/from Populus Davidiana (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Populus Deltoides (Plant) Rel Props:Reference:
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96. Outgoing r'ship FOUND_IN to/from Pueraria Montana (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/8116840
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122. Outgoing r'ship FOUND_IN to/from Xylopia Parvifolia (Plant) Rel Props:Reference:

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7-Hydroxyflavone

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Phytochemical Properties

Associated Connections 122

Plant Connections 122