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- ChemComp-EOL: 2-methoxy-4-(prop-2-en-1-yl)phenol -

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Basic information

EntryDatabase: PDB chemical components / ID: EOL
NameName: 2-methoxy-4-(prop-2-en-1-yl)phenol / Synonyms: eugenol

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Chemical information

Composition
Formula: C10H12O2 / Number of atoms: 24 / Formula weight: 164.201 / Formal charge: 0
Others

3s0e

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EOL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3S0E
History
Create componentMay 17, 2011
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01Oc1ccc(cc1OC)C\C=C
CACTVS 3.370COc1cc(CC=C)ccc1O
OpenEye OEToolkits 1.7.2COc1cc(ccc1O)CC=C

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SMILES CANONICAL

CACTVS 3.370COc1cc(CC=C)ccc1O
OpenEye OEToolkits 1.7.2COc1cc(ccc1O)CC=C

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InChI

InChI 1.03InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3

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InChIKey

InChI 1.03RRAFCDWBNXTKKO-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-methoxy-4-(prop-2-en-1-yl)phenol
OpenEye OEToolkits 1.7.22-methoxy-4-prop-2-enyl-phenol

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PDB entries

Showing all 6 items

PDB-3s0e:
Apis mellifera OBP14 in complex with the odorant eugenol (2-methoxy-4(2-propenyl)-phenol)

PDB-7lid:
The structure of the insect olfactory receptor OR5 from Machilis hrabei in complex with eugenol

PDB-7ywu:
Eugenol oxidase from rhodococcus jostii: mutant S81H, A423M, H434Y, S394V, I445D, S518P

PDB-7ywv:
Eugenol oxidase from rhodococcus jostii: mutant S81H, D151E, A423M, H434Y, S394V, Q425S, I445D, S518P

PDB-8s7n:
Vanillyl-alcohol dehydrogenase from Marinicaulis flavus: P151L mutant bound to eugenol

PDB-9goz:
4-Allyl syringol oxidase from Streptomyces cavernae: complex with eugenol

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