ISDA: 9W0U

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1EUI

IUPAC Name: 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: O=c1cc(-c2ccccc2)oc2ccccc12

InChI: InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H

InChI Key: VHBFFQKBGNRLFZ-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C20 H20 O7

Molecular weight: 372.369

Hydrogen Bond Acceptor: 7

Hydrogen Bond Donor: 0

Rotatable Bonds: 11

Heavy Atoms: 27

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
InChIKey	InChI	1.06	ULSUXBXHSYSGDT-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(cc1)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2
SMILES	CACTVS	3.385	COc1ccc(cc1)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)C2=CC(=O)c3c(c(c(c(c3OC)OC)OC)OC)O2
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)C2=CC(=O)c3c(c(c(c(c3OC)OC)OC)OC)O2

Chemical Database Mapping