8WU

(E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one

Created:	2017-10-19
Last modified:	2018-04-18

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1 entries where 8WU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	12

2D diagram of 8WU

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Chemical Component Summary
Name	(E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one
Systematic Name (OpenEye OEToolkits)	(~{E})-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one
Formula	C₂₂ H₂₂ O₅
Molecular Weight	366.407
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(C=CC(=O)c2ccc(OC)c3C=CC(C)(C)Oc23)cc1O
SMILES	OpenEye OEToolkits	2.0.6	CC1(C=Cc2c(ccc(c2O1)C(=O)C=Cc3ccc(c(c3)O)OC)OC)C
Canonical SMILES	CACTVS	3.385	COc1ccc(/C=C/C(=O)c2ccc(OC)c3C=CC(C)(C)Oc23)cc1O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(c(c3)O)OC)OC)C
InChI	InChI	1.03	InChI=1S/C22H22O5/c1-22(2)12-11-16-19(25-3)10-7-15(21(16)27-22)17(23)8-5-14-6-9-20(26-4)18(24)13-14/h5-13,24H,1-4H3/b8-5+
InChIKey	InChI	1.03	XJMCEQUUSGXSES-VMPITWQZSA-N

Related Resource References

Resource Name	Reference
PubChem	71653040
ChEMBL	CHEMBL2336890

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