W0S

1-(3,4,5-trimethoxyphenyl)methanamine

Created:	2020-09-24
Last modified:	2021-01-13

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2 entries where W0S is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	6

2D diagram of W0S

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Chemical Component Summary
Name	1-(3,4,5-trimethoxyphenyl)methanamine
Systematic Name (OpenEye OEToolkits)	(3,4,5-trimethoxyphenyl)methanamine
Formula	C₁₀ H₁₅ N O₃
Molecular Weight	197.231
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(N)c1cc(c(c(c1)OC)OC)OC
SMILES	CACTVS	3.385	COc1cc(CN)cc(OC)c1OC
SMILES	OpenEye OEToolkits	2.0.7	COc1cc(cc(c1OC)OC)CN
Canonical SMILES	CACTVS	3.385	COc1cc(CN)cc(OC)c1OC
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1cc(cc(c1OC)OC)CN
InChI	InChI	1.03	InChI=1S/C10H15NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6,11H2,1-3H3
InChIKey	InChI	1.03	YUPUSBMJCFBHAP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	87736

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.