3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexa-1,2,5-trien-1-yl)prop-2-en-1-one

• ChemBase ID: 106112
• Molecular Formular: C15H19O5
• Molecular Mass: 279.30836
• Monoisotopic Mass: 279.12324871
• SMILES: OC1CCC(CC1)/C=C/C(=O)C1=[C](=CC(O)C=C1O)O
• Canonical SMILES: OC1CCC(CC1)/C=C/C(=O)C1=[C](=CC(C=C1O)O)O
• InChI: InChI=1S/C15H19O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h3,6-11,16-17,19-20H,1-2,4-5H2
• InChIKey: BRHRYXVDBHZATH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexa-1,2,5-trien-1-yl)prop-2-en-1-one
• IUPAC Traditional name: 3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexa-1,2,5-trien-1-yl)prop-2-en-1-one
• Synonyms: 4 ',5,7 Trihydroxyflavone; APIGENIN

Database IDs

• CAS Number: 520-36-5
• EC Number: 208-292-3
• PubChem SID: 162092966
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 86.8629 cm^3
• Polar Surface Area: 97.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 0.905-0.915 g/ml

Safety Information

• Storage Condition: 0°C
• RTECS: LK9276000

Product Information

• Purity: ≥95%

DETAILS

MP Biomedicals - 02199123

Crystalline
Purity:>95%
Inhibitor of cell proliferation by arresting cells in the G₂/M phase.