2-(3,4-Dihydroxybenzylidene)-6-hydroxybenzofuran-3(2H)-one

PubChem CID: 5321560

Connections displayed (default: 10).

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Compound Synonyms	100433-06-5, 2-(3,4-Dihydroxybenzylidene)-6-hydroxybenzofuran-3(2H)-one, CHEMBL513487, SCHEMBL8346701, NSC226214, AKOS030538655, CCG-208420, NSC-226214, NCGC00163629-01, (2e)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-1-benzofuran-3(2h)-one
Topological Polar Surface Area	87.0
Hydrogen Bond Donor Count	3.0
Heavy Atom Count	20.0
Isotope Atom Count	0.0
Molecular Complexity	418.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	Q03164, P46063, P10828, P51450, Q9F4F7, P02791, Q92830, Q13951, P11473, Q9UBT6, P11021, P27695
Iupac Name	(2E)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
Prediction Hob	1.0
Target Id	NPT47, NPT46
Xlogp	2.5
Molecular Formula	C15H10O5
Prediction Swissadme	0.0
Inchi Key	RGNXWPVNPFAADO-MKMNVTDBSA-N
Fcsp3	0.0
Logs	-3.335
Rotatable Bond Count	1.0
Logd	2.28
Compound Name	2-(3,4-Dihydroxybenzylidene)-6-hydroxybenzofuran-3(2H)-one
Prediction Hob Swissadme	0.0
Exact Mass	270.053
Formal Charge	0.0
Monoisotopic Mass	270.053
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	270.24
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	1.0
Esol	-3.4873879999999997
Inchi	InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6+
Smiles	C1=CC(=C(C=C1/C=C/2\C(=O)C3=C(O2)C=C(C=C3)O)O)O
Nring	3.0
Defined Bond Stereocenter Count	1.0

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64. Outgoing r'ship FOUND_IN to/from Rhus Verniciflua (Plant) Rel Props:Source_db:npass_chem_all
65. Outgoing r'ship FOUND_IN to/from Rhus Vulgaris (Plant) Rel Props:Reference:
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75. Outgoing r'ship FOUND_IN to/from Toxicodendron Succedaneum (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Toxicodendron Vernicifluum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
77. Outgoing r'ship FOUND_IN to/from Toxicodendron Wallichii (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Valeriana Officinalis (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Verbena Officinalis (Plant) Rel Props:Reference:

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2-(3,4-Dihydroxybenzylidene)-6-hydroxybenzofuran-3(2H)-one

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Phytochemical Properties

Associated Connections 79

Plant Connections 79