Cas no 511-25-1 (Cohumulone)
Cohumulone structure
Product Name:Cohumulone
CAS No:511-25-1
MF:C20H28O5
MW:348.433326721191
CID:2200370
PubChem ID:196915
Update Time:2025-04-21
Cohumulone Chemical and Physical Properties
Names and Identifiers
-
- 2,5-CYCLOHEXADIEN-1-ONE, 3,4,5-TRIHYDROXY-2,4-BIS(3-METHYL-2-BUTEN-1-YL)-6-(2-METHYL-1-OXOPROPYL)-, (-)-
- 3,5,6-TRIHYDROXY-4,6-BIS(3-METHYLBUT-2-EN-1-YL)-2-(2-METHYLPROPANOYL)CYCLOHEXA-2,4-DIEN-1-ONE
- DTXSID701318500
- 3,4,5-Trihydroxy-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-2,5-cyclohexadien-1-one, 9CI
- (+/-)-cohumulone
- DRSITEVYZGOOQG-UHFFFAOYSA-N
- SCHEMBL13629034
- Q27893896
- 3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
- GTPL12422
- 5-(alpha,beta-Dibromophenethyl)-5-methylhydantoin
- COHUMULONE, (-)-
- UNII-2Y34G4NIC8
- NS00094537
- 142628-20-4
- (-)-3,4,5-TRIHYDROXY-2,4-BIS(3-METHYL-2-BUTEN-1-YL)-6-(2-METHYL-1-OXOPROPYL)-2,5-CYCLOHEXADIEN-1-ONE
- 511-25-1
- 2,5-Cyclohexadien-1-one, 3,4,5-trihydroxy-2-isobutyryl-4,6-bis(3-methyl-2-butenyl)-
- CHEBI:175443
- SCHEMBL317724
- Q2981886
- DTXSID20931549
- 2Y34G4NIC8
- 2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(2-methyl-1-oxopropyl)-
- FC172854
- Cohumulone
-
- Inchi： 1S/C20H28O5/c1-11(2)7-8-14-17(22)15(16(21)13(5)6)19(24)20(25,18(14)23)10-9-12(3)4/h7,9,13,22-23,25H,8,10H2,1-6H3
- InChI Key： DRSITEVYZGOOQG-UHFFFAOYSA-N
- SMILES： OC1(C(C(C(C(C)C)=O)=C(C(C/C=C(\C)/C)=C1O)O)=O)C/C=C(\C)/C
Computed Properties
- Exact Mass: 348.19367399g/mol
- Monoisotopic Mass: 348.19367399g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 6
- Complexity: 696
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 94.8?2
Cohumulone Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：Store at recommended temperature
Cohumulone Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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