Chemical Components in the PDB

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H42 : Summary

Code

H42

One-letter code

X

Molecule name

5,6,7,8-tetrahydronaphthalen-2-ol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 5,6,7,8-tetrahydronaphthalen-2-ol

Formula

C10 H12 O

Formal charge

0

Molecular weight

148.202 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1ccc2CCCCc2c1
SMILES OpenEye OEToolkits 2.0.6 c1cc2c(cc1O)CCCC2
Canonical SMILES CACTVS 3.385 Oc1ccc2CCCCc2c1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc2c(cc1O)CCCC2

IUPAC InChI

InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2

IUPAC InChI key

UMKXSOXZAXIOPJ-UHFFFAOYSA-N
H42

wwPDB Information

Atom count

23 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-11-15

Last modified at

2019-06-28

Status

Released

Obsoleted

Not Assigned