ISDA: 9XS3

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1MCQ

IUPAC Name: wogonin

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: C16 H12 O5

Molecular weight: 284.263

Hydrogen Bond Acceptor: 5

Hydrogen Bond Donor: 2

Rotatable Bonds: 5

Heavy Atoms: 21

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	8-methoxy-5,7-bis(oxidanyl)-2-phenyl-chromen-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3
InChIKey	InChI	1.06	XLTFNNCXVBYBSX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1c(O)cc(O)c2C(=O)C=C(Oc12)c3ccccc3
SMILES	CACTVS	3.385	COc1c(O)cc(O)c2C(=O)C=C(Oc12)c3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1c(cc(c2c1OC(=CC2=O)c3ccccc3)O)O
SMILES	OpenEye OEToolkits	2.0.7	COc1c(cc(c2c1OC(=CC2=O)c3ccccc3)O)O