2-(2-Phenylethyl)chromone

PubChem CID: 441964

Connections displayed (default: 10).

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Compound Synonyms	2-(2-Phenylethyl)chromone, 61828-53-3, Flindersiachromone, flidersiachromone, 2-Phenethyl-4H-chromen-4-one, 2-(2-phenylethyl)chromen-4-one, 4H-1-Benzopyran-4-one, 2-(2-phenylethyl)-, CHEBI:5092, 2-PHENETHYLCHROMONE, 2-(2-phenylethyl)-4H-chromen-4-one, Chromone, 2-(2-phenylethyl), 2-phenethylchromen-4-one, 2-(2-Phenylethyl) chromone, CHEMBL481060, SCHEMBL5826185, DTXSID90210818, HY-N8220, BDBM50508711, 2-phenylethyl-4H-1-benzopyran-4-one, AKOS028111422, WS-03080, 2-(2-phenylethyl)-4H-1-benzopyran-4-one, DB-312522, CS-0140323, C09007, E72232, Q27106650
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC(CCC2CCCCC2)CC2CCCCC12
Np Classifier Class	Chromones
Deep Smiles	O=cccCCcccccc6))))))))occ6cccc6
Heavy Atom Count	19.0
Classyfire Class	Benzopyrans
Scaffold Graph Node Level	OC1CC(CCC2CCCCC2)OC2CCCCC12
Classyfire Subclass	1-benzopyrans
Isotope Atom Count	0.0
Molecular Complexity	352.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	n.a., P37231
Iupac Name	2-(2-phenylethyl)chromen-4-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Target Id	NPT99
Xlogp	4.2
Gsk 4 400 Rule	True
Molecular Formula	C17H14O2
Scaffold Graph Node Bond Level	O=c1cc(CCc2ccccc2)oc2ccccc12
Prediction Swissadme	0.0
Inchi Key	VNZNWFQJBFLELF-UHFFFAOYSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.1176470588235294
Logs	-4.881
Rotatable Bond Count	3.0
Logd	3.533
Synonyms	2-2-phenylethylchromone
Esol Class	Moderately soluble
Functional Groups	c=O, coc
Compound Name	2-(2-Phenylethyl)chromone
Prediction Hob Swissadme	0.0
Exact Mass	250.099
Formal Charge	0.0
Monoisotopic Mass	250.099
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	250.29
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	-3.6943992947368423
Inchi	InChI=1S/C17H14O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-9,12H,10-11H2
Smiles	C1=CC=C(C=C1)CCC2=CC(=O)C3=CC=CC=C3O2
Nring	3.0
Np Classifier Biosynthetic Pathway	Polyketides
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Chromanes

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5. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Aquilaria Agallocha (Plant) Rel Props:Source_db:npass_chem_all
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8. Outgoing r'ship FOUND_IN to/from Aquilaria Malaccensis (Plant) Rel Props:Source_db:npass_chem_all
9. Outgoing r'ship FOUND_IN to/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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50. Outgoing r'ship FOUND_IN to/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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69. Outgoing r'ship FOUND_IN to/from Othonna Cylindrica (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Paeonia Officinalis (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Petasites Officinalis (Plant) Rel Props:Reference:
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73. Outgoing r'ship FOUND_IN to/from Poterium Sanguisorba (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Pothos Officinalis (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Pseudotsuga Sinensis (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Pterocarpus Officinalis (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Rosmarinus Officinalis (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Saccharum Sinensis (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Sanguisorba Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
81. Outgoing r'ship FOUND_IN to/from Sansevieria Cylindrica (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Saponaria Officinalis (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Sassafras Officinalis (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Scindapsus Officinalis (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Scopolia Sinensis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Selaginella Sinensis (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Spiranthes Sinensis (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Strychnos Malaccensis (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Styrax Officinalis (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Toona Sinensis (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Valeriana Officinalis (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Verbena Officinalis (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:

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2-(2-Phenylethyl)chromone

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Phytochemical Properties

Associated Connections 95

Plant Connections 95