1,3,5-Trihydroxy-6-methoxyxanthone

PubChem CID: 5479775

Connections displayed (default: 10).

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Compound Synonyms	1,3,5-trihydroxy-6-methoxyxanthone, 1,3,5-trihydroxy-6-methoxyxanthen-9-one, 6-Methoxy-1,3,5-trihydroxyxanthen-9-one, 1,3,5-trihydroxy-6-methoxy-xanthen-9-one, 4178-42-1
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	96.2
Hydrogen Bond Donor Count	3.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	CC1C2CCCCC2CC2CCCCC21
Np Classifier Class	Plant xanthones
Deep Smiles	COcccccc6O))occc6=O))cO)ccc6)O
Heavy Atom Count	20.0
Classyfire Class	Benzopyrans
Scaffold Graph Node Level	OC1C2CCCCC2OC2CCCCC21
Classyfire Subclass	1-benzopyrans
Isotope Atom Count	0.0
Molecular Complexity	386.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	1,3,5-trihydroxy-6-methoxyxanthen-9-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	2.4
Gsk 4 400 Rule	True
Molecular Formula	C14H10O6
Scaffold Graph Node Bond Level	O=c1c2ccccc2oc2ccccc12
Prediction Swissadme	0.0
Inchi Key	YUPPWYNUUOSXAI-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.0714285714285714
Logs	-3.533
Rotatable Bond Count	1.0
Logd	2.171
Synonyms	1,3,5-trihydroxy-6-methoxy-xanthone
Esol Class	Soluble
Functional Groups	c=O, cO, cOC, coc
Compound Name	1,3,5-Trihydroxy-6-methoxyxanthone
Prediction Hob Swissadme	0.0
Exact Mass	274.048
Formal Charge	0.0
Monoisotopic Mass	274.048
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	274.22
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	-3.8570136
Inchi	InChI=1S/C14H10O6/c1-19-9-3-2-7-12(17)11-8(16)4-6(15)5-10(11)20-14(7)13(9)18/h2-5,15-16,18H,1H3
Smiles	COC1=C(C2=C(C=C1)C(=O)C3=C(C=C(C=C3O2)O)O)O
Nring	3.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Xanthones

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35. Outgoing r'ship FOUND_IN to/from Hypericum Papuanum (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Hypericum Patulum (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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47. Outgoing r'ship FOUND_IN to/from Hypericum Triquetrifolium (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Hypericum Uralum (Plant) Rel Props:Reference:

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1,3,5-Trihydroxy-6-methoxyxanthone

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Phytochemical Properties

Associated Connections 48

Plant Connections 48