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Gastrol

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Gastrol
Chemical structure of gastrol
Names
Preferred IUPAC name 4-{methyl}-2-phenol
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C21H20O4/c22-19-6-1-15(2-7-19)11-18-12-17(5-10-21(18)24)14-25-13-16-3-8-20(23)9-4-16/h1-10,12,22-24H,11,13-14H2Key: QBQNMIPDPJEZHR-UHFFFAOYSA-N
  • InChI=1/C21H20O4/c22-19-6-1-15(2-7-19)11-18-12-17(5-10-21(18)24)14-25-13-16-3-8-20(23)9-4-16/h1-10,12,22-24H,11,13-14H2Key: QBQNMIPDPJEZHR-UHFFFAOYAC
SMILES
  • C1=CC(=CC=C1CC2=C(C=CC(=C2)COCC3=CC=C(C=C3)O)O)O
Properties
Chemical formula C21H20O4
Molar mass 336.387 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound

Gastrol is a phenolic compound produced by the saprophytic orchid Gastrodia elata.

References

  1. Hayashi, Junko; Sekine, Toshikazu; Deguchi, Shigeyoshi; Lin, Qing; Horie, Syunji; Tsuchiya, Shizuko; Yano, Shingo; Watanabe, Kazuo; Ikegami, Fumio (2002). "Phenolic compounds from Gastrodia rhizome and relaxant effects of related compounds on isolated smooth muscle preparation". Phytochemistry. 59 (5): 513–9. Bibcode:2002PChem..59..513H. doi:10.1016/S0031-9422(02)00008-0. PMID 11853746.
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