Cas no 21105-15-7 (Obtusaquinone Jurd 2066)
Obtusaquinone Jurd 2066 structure
Product Name:Obtusaquinone Jurd 2066
CAS No:21105-15-7
MF:C16H14O3
MW:254.280564785004
CID:911106
PubChem ID:6377243
Update Time:2025-04-19
Obtusaquinone Jurd 2066 Chemical and Physical Properties
Names and Identifiers
-
- Obtusaquinone Jurd 2066
- obtusaquinone
- 2,5-Cyclohexadien-1-one, 2-hydroxy-5-methoxy-4-(3-phenyl-2-propenylidene)-, (E,E)-
- 2-Hydroxy-5-methoxy-4-[(1E,2E)-3-phenyl-2-propenylidene]-2,5-cyclohexadien-1-one
- Ai3-29069
- Obtusachinon
- Obtusquinon
- SDCCGMLS-0066386.P001
- 21105-15-7
- SCHEMBL11744025
- NCGC00095826-01
- (4E)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one
- SR-05000002504
- SCHEMBL17131949
- NSC269107
- SPECTRUM200090
- SR-05000002504-1
- NCGC00095826-02
- NSC-269107
- CCG-39853
- CHEMBL1333653
- BSPBio_003216
- InChI=1/C16H14O3/c1-19-16-11-15(18)14(17)10-13(16)9-5-8-12-6-3-2-4-7-12/h2-11,17H,1H3/b8-5+,13-9
- NSC 269107
- SCHEMBL23165649
- 62745-67-9
- 2,5-Cyclohexadien-1-one, 2-hydroxy-5-methoxy-4-(3-phenyl-2-propenylidene)-
-
- Inchi： 1S/C16H14O3/c1-19-16-11-15(18)14(17)10-13(16)9-5-8-12-6-3-2-4-7-12/h2-11,17H,1H3/b8-5+,13-9+
- InChI Key： LUZUAYAKZLCOCQ-BHHNFLQBSA-N
- SMILES： O(C)C1=CC(C(=C/C/1=C\C=C\C1C=CC=CC=1)O)=O
Computed Properties
- Exact Mass: 254.09432
- Monoisotopic Mass: 254.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 460
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
- LogP: 3.18110
Obtusaquinone Jurd 2066 Related Literature
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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