Hymenoxin

PubChem CID: 171488

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Compound Synonyms	Hymenoxin, 56003-01-1, 5,7-Dihydroxy-6,8,3',4'-tetramethoxyflavone, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxychromen-4-one, CHEMBL504325, NSC655980, 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-chromen-4-one, 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-, K7DS5USW8R, SCHEMBL1764664, DTXSID90204575, CHEBI:175802, BDBM50412269, HY-N12735, LMPK12111477, NSC-655980, NCI60_019381, CS-1048334, G89187, 2-(3,4-Dimethoxyphenyl)-6,8-dimethoxy-5,7-bis(oxidanyl)chromen-4-one, 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one, 9CI
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	104.0
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	CC1CC(C2CCCCC2)CC2CCCCC12
Np Classifier Class	Flavones
Deep Smiles	COcccccc6OC)))))ccc=O)cco6)cOC))ccc6O))OC)))O
Heavy Atom Count	27.0
Classyfire Class	Flavonoids
Description	Isolated from Mentha piperita (peppermint). Hymenoxin is found in sunflower, peppermint, and herbs and spices.
Scaffold Graph Node Level	OC1CC(C2CCCCC2)OC2CCCCC12
Classyfire Subclass	O-methylated flavonoids
Isotope Atom Count	0.0
Molecular Complexity	564.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P07943
Iupac Name	2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxychromen-4-one
Prediction Hob	1.0
Class	Flavonoids
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	2.9
Superclass	Phenylpropanoids and polyketides
Subclass	O-methylated flavonoids
Gsk 4 400 Rule	True
Molecular Formula	C19H18O8
Scaffold Graph Node Bond Level	O=c1cc(-c2ccccc2)oc2ccccc12
Prediction Swissadme	0.0
Inchi Key	QCOSAYZZNVASNN-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.2105263157894736
Logs	-4.315
Rotatable Bond Count	5.0
State	Solid
Logd	2.348
Synonyms	2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one, 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one, 9CI, 5,7-Dihydroxy-6,8,3',4'-tetramethoxyflavone, Hymenoxin, 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-chromen-4-one, 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one, 9ci, hymenoxin, hymenoxin (5,7-dihydroxy-6,8,3',4'-tetramethoxyflavone), hymenoxin (5,7-dihydroxy-6,8,3’,4’-tetramethoxyflavone)
Substituent Name	8-methoxyflavonoid-skeleton, 6-methoxyflavonoid-skeleton, 4p-methoxyflavonoid-skeleton, 3p-methoxyflavonoid-skeleton, Hydroxyflavonoid, Flavone, 7-hydroxyflavonoid, 5-hydroxyflavonoid, Chromone, O-dimethoxybenzene, Dimethoxybenzene, 1-benzopyran, Methoxyphenol, Benzopyran, Hydroxyquinol derivative, Methoxybenzene, Resorcinol, Phenol ether, Anisole, Pyranone, Alkyl aryl ether, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous acid, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound
Esol Class	Moderately soluble
Functional Groups	c=O, cO, cOC, coc
Compound Name	Hymenoxin
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	374.1
Formal Charge	0.0
Monoisotopic Mass	374.1
Hydrogen Bond Acceptor Count	8.0
Molecular Weight	374.3
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic heteropolycyclic compounds
Lipinski Rule Of 5	True
Esol	-3.6050575185185196
Inchi	InChI=1S/C19H18O8/c1-23-11-6-5-9(7-13(11)24-2)12-8-10(20)14-15(21)18(25-3)16(22)19(26-4)17(14)27-12/h5-8,21-22H,1-4H3
Smiles	COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC
Nring	3.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	8-O-methylated flavonoids
Np Classifier Superclass	Flavonoids

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74. Outgoing r'ship FOUND_IN to/from Helianthus Maximiliani (Plant) Rel Props:Reference:
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76. Outgoing r'ship FOUND_IN to/from Helianthus Niveus (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Helianthus Pumilus (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Helianthus Strumosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
79. Outgoing r'ship FOUND_IN to/from Helianthus Tuberosus (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Kopsia Albiflora (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Kopsia Flavida (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Kopsia Fruticosa (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Kopsia Grandifolia (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Kopsia Hainanensis (Plant) Rel Props:Reference:
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90. Outgoing r'ship FOUND_IN to/from Kopsia Teoi (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Limnophila Heterophylla (Plant) Rel Props:Reference:ISBN:9770972795006
92. Outgoing r'ship FOUND_IN to/from Litsea Konishii (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Mentha Piperita (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729
94. Outgoing r'ship FOUND_IN to/from Physocarpus Intermedius (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Physocarpus Opulifolius (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Scoparia Dulcis (Plant) Rel Props:Reference:ISBN:9788172361792; ISBN:9788185042138; ISBN:9788185042145

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Hymenoxin

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Phytochemical Properties

Associated Connections 96

Plant Connections 96