Toxyloxanthone B

PubChem CID: 14886044

Connections displayed (default: 10).

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Compound Synonyms	toxyloxanthone B, 50875-24-6, 5,9,11-trihydroxy-3,3-dimethylpyrano(3,2-a)xanthen-12-one, 5,9,11-trihydroxy-3,3-dimethylpyrano[3,2-a]xanthen-12-one, CHEMBL482997, SCHEMBL22704766, ACA87524, 5,9,11-trihydroxy-3,3-dimethyl-pyrano[3,2-a]xanthen-12-one
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	96.2
Hydrogen Bond Donor Count	3.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1C2CCCCC2CC2CCC3CCCCC3C21
Np Classifier Class	Plant xanthones
Deep Smiles	OcccO)ccc6)occc6=O))cC=CCOc6cc%10)O))))C)C
Heavy Atom Count	24.0
Classyfire Class	Benzopyrans
Scaffold Graph Node Level	OC1C2CCCCC2OC2CCC3OCCCC3C21
Classyfire Subclass	1-benzopyrans
Isotope Atom Count	0.0
Molecular Complexity	558.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	5,9,11-trihydroxy-3,3-dimethylpyrano[3,2-a]xanthen-12-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	3.4
Gsk 4 400 Rule	True
Molecular Formula	C18H14O6
Scaffold Graph Node Bond Level	O=c1c2ccccc2oc2ccc3c(c12)C=CCO3
Prediction Swissadme	0.0
Inchi Key	MFKYNKVEQUTJEH-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.1666666666666666
Logs	-3.669
Rotatable Bond Count	0.0
Logd	2.061
Synonyms	toxyloxanthone b
Esol Class	Moderately soluble
Functional Groups	c=O, cC=CC, cO, cOC, coc
Compound Name	Toxyloxanthone B
Prediction Hob Swissadme	0.0
Exact Mass	326.079
Formal Charge	0.0
Monoisotopic Mass	326.079
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	326.3
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	-4.764351466666666
Inchi	InChI=1S/C18H14O6/c1-18(2)4-3-9-14-13(7-11(21)17(9)24-18)23-12-6-8(19)5-10(20)15(12)16(14)22/h3-7,19-21H,1-2H3
Smiles	CC1(C=CC2=C(O1)C(=CC3=C2C(=O)C4=C(C=C(C=C4O3)O)O)O)C
Nring	8.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Xanthones

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12. Outgoing r'ship FOUND_IN to/from Garcinia Esculenta (Plant) Rel Props:Source_db:cmaup_ingredients
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67. Outgoing r'ship FOUND_IN to/from Hypericum Chinense (Plant) Rel Props:Reference:
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70. Outgoing r'ship FOUND_IN to/from Hypericum Drummondii (Plant) Rel Props:Reference:
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79. Outgoing r'ship FOUND_IN to/from Hypericum Humifusum (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Hypericum Japonicum (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Hypericum Jovis (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Hypericum Laricifolium (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Hypericum Monanthemum (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Hypericum Monogynum (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Hypericum Mysorense (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Hypericum Mysurense (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Hypericum Oblongifolium (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Hypericum Olympicum (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Hypericum Papuanum (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Hypericum Patulum (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Hypericum Perforatum (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Hypericum Polyanthemum (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Hypericum Prolificum (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Hypericum Reflexum (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Hypericum Reptans (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Hypericum Revolutum (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Hypericum Sampsonii (Plant) Rel Props:Reference:ISBN:9788185042138
98. Outgoing r'ship FOUND_IN to/from Hypericum Scabrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
99. Outgoing r'ship FOUND_IN to/from Hypericum Sikokumontanum (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Hypericum Styphelioides (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Hypericum Triquetrifolium (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Hypericum Uralum (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Manihot Esculenta (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Morchella Esculenta (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Myrica Esculenta (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Vernonia Esculenta (Plant) Rel Props:Reference:

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Toxyloxanthone B

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Phytochemical Properties

Associated Connections 106

Plant Connections 106