2-Hydroxychrysophanol

PubChem CID: 442759

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Compound Synonyms	2-Hydroxychrysophanol, Norobtusifolin, 58322-78-4, 1,2,8-trihydroxy-3-methylanthracene-9,10-dione, 1,2,8-Trihydroxy-3-methylanthraquinone, CHEBI:7635, DTXSID70207049, 1,2,8-trihydroxy-3-methyl-9,10-anthraquinone, 9,10-Anthracenedione, 1,2,8-trihydroxy-3-methyl-, 1,2,8-Trihydroxy-3-methyl-9,10-anthracenedione, 9CI, CHEMBL190245, SCHEMBL3192604, DTXCID20129540, LMPK13040011, AKOS015960424, AC-10899, Q27107547
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	94.8
Hydrogen Bond Donor Count	3.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	CC1C2CCCCC2C(C)C2CCCCC12
Np Classifier Class	Anthraquinones and anthrones
Deep Smiles	Occcccc6C=O)ccC6=O))cccc6O))O))C
Heavy Atom Count	20.0
Classyfire Class	Anthracenes
Description	Constituent of the roots of Myrsine africana (Cape myrtle).
Scaffold Graph Node Level	OC1C2CCCCC2C(O)C2CCCCC12
Classyfire Subclass	Anthraquinones
Isotope Atom Count	0.0
Molecular Complexity	434.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	n.a.
Iupac Name	1,2,8-trihydroxy-3-methylanthracene-9,10-dione
Prediction Hob	1.0
Class	Anthracenes
Veber Rule	True
Classyfire Superclass	Benzenoids
Xlogp	2.7
Superclass	Benzenoids
Subclass	Anthraquinones
Gsk 4 400 Rule	True
Molecular Formula	C15H10O5
Scaffold Graph Node Bond Level	O=C1c2ccccc2C(=O)c2ccccc21
Prediction Swissadme	0.0
Inchi Key	CQNVSNFEXPKHGW-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.0666666666666666
Logs	-4.062
Rotatable Bond Count	0.0
State	Solid
Logd	2.512
Synonyms	1,2,8-Trihydroxy-3-methyl-9,10-anthracenedione, 9CI, 2-Hydroxychrysophanol, Norobtusifolin, 1,2,8-Trihydroxy-3-methyl-9,10-anthracenedione, 9ci, 2-hydroxychrysophanol
Substituent Name	Hydroxyanthraquinone, Nitrotoluene, Aryl ketone, O-cresol, M-cresol, 1,2-diphenol, Vinylogous acid, Polyol, Ketone, Hydrocarbon derivative, Organooxygen compound, Aromatic homopolycyclic compound
Esol Class	Soluble
Functional Groups	cC(c)=O, cO
Compound Name	2-Hydroxychrysophanol
Kingdom	Organic compounds
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
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic homopolycyclic compounds
Lipinski Rule Of 5	True
Esol	-3.6730880000000004
Inchi	InChI=1S/C15H10O5/c1-6-5-8-11(15(20)12(6)17)14(19)10-7(13(8)18)3-2-4-9(10)16/h2-5,16-17,20H,1H3
Smiles	CC1=CC2=C(C(=C1O)O)C(=O)C3=C(C2=O)C=CC=C3O
Nring	3.0
Np Classifier Biosynthetic Pathway	Polyketides
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Hydroxyanthraquinones
Np Classifier Superclass	Polycyclic aromatic polyketides

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10. Outgoing r'ship FOUND_IN to/from Annona Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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67. Outgoing r'ship FOUND_IN to/from Magnolia Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
68. Outgoing r'ship FOUND_IN to/from Magnolia Henryi (Plant) Rel Props:Reference:
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82. Outgoing r'ship FOUND_IN to/from Magnolia Rostrata (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Magnolia Salicifolia (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Magnolia Sieboldii (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Magnolia Sprengeri (Plant) Rel Props:Reference:
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90. Outgoing r'ship FOUND_IN to/from Mentha Grandiflora (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Mussaenda Glabra (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Myrsine Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
93. Outgoing r'ship FOUND_IN to/from Myrsine Capitellata (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Myrsine Semiserrata (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Nelumbo Lutea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
96. Outgoing r'ship FOUND_IN to/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
97. Outgoing r'ship FOUND_IN to/from Notonia Grandiflora (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Nuphar Lutea (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Persicaria Glabra (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Pongamia Glabra (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Portulaca Grandiflora (Plant) Rel Props:Reference:
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108. Outgoing r'ship FOUND_IN to/from Schisandra Grandiflora (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Scutellaria Glabra (Plant) Rel Props:Reference:
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111. Outgoing r'ship FOUND_IN to/from Sideritis Grandiflora (Plant) Rel Props:Reference:
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115. Outgoing r'ship FOUND_IN to/from Tecoma Grandiflora (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Thunbergia Grandiflora (Plant) Rel Props:Reference:
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118. Outgoing r'ship FOUND_IN to/from Trigonella Grandiflora (Plant) Rel Props:Reference:
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123. Outgoing r'ship FOUND_IN to/from Zephyranthes Grandiflora (Plant) Rel Props:Reference:

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2-Hydroxychrysophanol

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Phytochemical Properties

Associated Connections 123

Plant Connections 123