2-(4-Hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

PubChem CID: 282014

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Compound Synonyms	2-(4-Hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, 2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, (+)-3,4',5,7-Flaventetrol, (+)-Afzelechin, NSC 135065, Afzelechin, (+)-, Flavan-3-ols + 3O, (-)-epi-Afzelechin, Epiafzelechin, (-)-, epi-Afzelechin, 3,4',5,7-tetrahydroxyflavan, 3,5,7-Flavantetrol (+)-, CHEMBL1326092, SCHEMBL10405656, 3,5,7-Flaventetrol, (+)-, CHEBI:181768, DTXSID301189517, 3,4',5,7-Flavantetrol (+)-, NSC135065, NCGC00095516-01, 490-61-9, 3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-3,5,7-triol
Topological Polar Surface Area	90.2
Hydrogen Bond Donor Count	4.0
Heavy Atom Count	20.0
Description	Afzelechin is a flavan-3ol, a type of flavonoids. It can be found in Bergenia ligulata (aka Paashaanbhed in Ayurveda traditional Indian medicine)., Afzelechin-(4alpha?8)-afzelechin (molecular formula : C30H26O10, molar mass : 546.52 g/mol, exact mass : 546.152597, CAS number : 101339-37-1, Pubchem CID : 12395) is a B type proanthocyanidin. Ent-epiafzelechin-3-O-p-hydroxybenzoate-(4??8,2??O?7)-epiafzelechin) is an A-type proanthocyanidin found in apricots (Prunus armeniaca).
Isotope Atom Count	0.0
Molecular Complexity	328.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P22309, P0DMM9, Q03164, P08684, Q9UM73, Q9UBT6
Iupac Name	2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Prediction Hob	1.0
Class	Flavonoids
Target Id	NPT109
Xlogp	0.7
Superclass	Phenylpropanoids and polyketides
Subclass	Flavans
Molecular Formula	C15H14O5
Prediction Swissadme	0.0
Inchi Key	RSYUFYQTACJFML-UHFFFAOYSA-N
Fcsp3	0.2
Logs	-3.018
Rotatable Bond Count	1.0
State	Solid
Logd	2.1
Synonyms	(+)-3,4',5,7-Flaventetrol, (+)-Afzelechin, 3,4',5, 7-Flaventetrol, (+)-, 3,4',5,7-Flavantetrol (+)-, 3,5,7,4'-Tetrahydroxyflavan, Afzelechin, Afzelechin, (+)-
Compound Name	2-(4-Hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	274.084
Formal Charge	0.0
Monoisotopic Mass	274.084
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	274.27
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic heteropolycyclic compounds
Esol	-2.3720864
Inchi	InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2
Smiles	C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)O
Nring	3.0
Defined Bond Stereocenter Count	0.0
Taxonomy Direct Parent	Flavan-3-ols

1. Outgoing r'ship FOUND_IN to/from Acacia Catechu (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Actinidia Chinensis (Plant) Rel Props:Source_db:fooddb_chem_all
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81. Outgoing r'ship FOUND_IN to/from Juniperus Squamata (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Juniperus Taiwaniana (Plant) Rel Props:Reference:
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93. Outgoing r'ship FOUND_IN to/from Phyllanthus Debilis (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Phyllanthus Distichus (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Phyllanthus Emblica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
96. Outgoing r'ship FOUND_IN to/from Phyllanthus Flexuosus (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Phyllanthus Fraternus (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Phyllanthus Indofischeri (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Phyllanthus Kozhikodianus (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Phyllanthus Macraeki (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Phyllanthus Maderaspatensis (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Phyllanthus Missionis (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Phyllanthus Muellerianus (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Phyllanthus Mukherjeeanus (Plant) Rel Props:Reference:
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108. Outgoing r'ship FOUND_IN to/from Phyllanthus Polyphyllus (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Phyllanthus Reticulatus (Plant) Rel Props:Reference:
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120. Outgoing r'ship FOUND_IN to/from Senegalia Catechu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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122. Outgoing r'ship FOUND_IN to/from Senegalia Pennata (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Senegalia Tenuifolia (Plant) Rel Props:Reference:

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2-(4-Hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

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Phytochemical Properties

Associated Connections 123

Plant Connections 123