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1,2,3,4-tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol

  • Formula: C20H22O5

  • Molecular weight: 342.40

  • Smiles: COC1=C(C=C2CCC(C(C2=C1)C(C=CC3=CC=C(C=C3)O)O)O)O

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1,2,3,4-tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: 1,2,3,4-tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol

  • First synonym: 1,2,3,4-tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol

  • Synonyms: 1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol,CHEBI:175352,1-[(Z)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-2,6-diol

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Structure

  • Smiles: COC1=C(C=C2CCC(C(C2=C1)C(C=CC3=CC=C(C=C3)O)O)O)O

  • Isomeric smiles: COC1=C(C=C2CCC(C(C2=C1)C(/C=C\C3=CC=C(C=C3)O)O)O)O

  • Inchi: InChI=1S/C20H22O5/c1-25-19-11-15-13(10-18(19)24)5-9-17(23)20(15)16(22)8-4-12-2-6-14(21)7-3-12/h2-4,6-8,10-11,16-17,20-24H,5,9H2,1H3/b8-4-

  • Inchikey: WCBFHZJDMQCSLQ-YWEYNIOJSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H22O5

  • Molecular weight: 342.40

  • Monoisotopic mass: 342.1467238

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