|
HMO : Summary
Code
|
HMO
|
One-letter code
|
X
|
Molecule name
|
4'-HYDROXY-7-METHOXYISOFLAVONE
|
Systematic names
|
|
Formula
|
C16 H12 O4
|
Formal charge
|
0
|
Molecular weight
|
268.264 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C1c3c(OC=C1c2ccc(O)cc2)cc(OC)cc3 |
SMILES
|
CACTVS |
3.341 |
COc1ccc2C(=O)C(=COc2c1)c3ccc(O)cc3 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
COc1ccc2c(c1)OC=C(C2=O)c3ccc(cc3)O |
Canonical SMILES
|
CACTVS |
3.341 |
COc1ccc2C(=O)C(=COc2c1)c3ccc(O)cc3 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
COc1ccc2c(c1)OC=C(C2=O)c3ccc(cc3)O |
|
IUPAC InChI | InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3 |
IUPAC InChI key | LNIQZRIHAMVRJA-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
32 (20 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2000-10-10
|
Last modified at
|
2020-06-17
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|