Chemical Components in the PDB

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EUG : Summary

Code

EUG

One-letter code

X

Molecule name

2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol

Systematic names

ProgramVersionName
ACDLabs 12.01 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol
OpenEye OEToolkits 1.7.2 2-methoxy-4-[(E)-prop-1-enyl]phenol

Formula

C10 H12 O2

Formal charge

0

Molecular weight

164.201 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Oc1ccc(cc1OC)/C=C/C
SMILES CACTVS 3.370 COc1cc(C=CC)ccc1O
SMILES OpenEye OEToolkits 1.7.2 CC=Cc1ccc(c(c1)OC)O
Canonical SMILES CACTVS 3.370 COc1cc(\C=C\C)ccc1O
Canonical SMILES OpenEye OEToolkits 1.7.2 C/C=C/c1ccc(c(c1)OC)O

IUPAC InChI

InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+

IUPAC InChI key

BJIOGJUNALELMI-ONEGZZNKSA-N
EUG

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned