Chemical Components in the PDB

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DO6 : Summary

Code

DO6

One-letter code

X

Molecule name

(6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

Formula

C20 H20 O7

Formal charge

0

Molecular weight

372.369 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc2c(oc(C)c2C(=O)c3cc(OC)c(OC)c(OC)c3)c1O
SMILES OpenEye OEToolkits 2.0.7 Cc1c(c2ccc(c(c2o1)O)OC)C(=O)c3cc(c(c(c3)OC)OC)OC
Canonical SMILES CACTVS 3.385 COc1ccc2c(oc(C)c2C(=O)c3cc(OC)c(OC)c(OC)c3)c1O
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1c(c2ccc(c(c2o1)O)OC)C(=O)c3cc(c(c(c3)OC)OC)OC

IUPAC InChI

InChI=1S/C20H20O7/c1-10-16(12-6-7-13(23-2)18(22)19(12)27-10)17(21)11-8-14(24-3)20(26-5)15(9-11)25-4/h6-9,22H,1-5H3

IUPAC InChI key

RADMJHVVIZTENA-UHFFFAOYSA-N
DO6

wwPDB Information

Atom count

47 (27 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-08-16

Last modified at

2020-08-14

Status

Released

Obsoleted

Not Assigned