MYC
- Molecular formula
- C15 H10 O8
- Molecular weight (g/mol)
- 318.24
- Classification
- NATURAL_PRODUCT
Related PDB structures · 1
Names & identifiers
- IUPAC name
- 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
- SMILES
- c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
- Isomeric SMILES
- c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
- InChI
- InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
- InChIKey
- IKMDFBPHZNJCSN-UHFFFAOYSA-N
- CAS
- 529-44-2
Chemical & physical properties
- HBA
- 8
- HBD
- 6
- TPSA (Ų)
- 151.59
- cLogP
- 1.69
- Chiral atoms
- 0
- Molar refractivity
- 77.91
- Rings
- 3
- Aromatic rings
- 3
- Fraction Csp³
- 0.0
- Formal charge
- 0
Calculated properties
QED0.371
NPScore0.521750193
SAScore6.633777059