| Identification | Back Directory | [Name]
1,3-Benzenediol,5-methyl-4-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]- | [CAS]
23665-96-5 | [Synonyms]
1,3-Benzenediol,5-methyl-4-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]- | [Molecular Formula]
C22H32O2 | [MOL File]
23665-96-5.mol | [Molecular Weight]
328.49 |
| Chemical Properties | Back Directory | [Boiling point ]
479.2±45.0 °C(Predicted) | [density ]
0.994±0.06 g/cm3(Predicted) | [pka]
9.98±0.40(Predicted) | [InChI]
InChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-21-19(5)14-20(23)15-22(21)24/h8,10,12,14-15,23-24H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+ | [InChIKey]
JWDIUXFSIWOGDP-VZRGJMDUSA-N | [SMILES]
C1(O)=CC(C)=C(C/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C)C(O)=C1 |
| Hazard Information | Back Directory | [Uses]
Neogrifolin is an inhibitor of KRAS. Neogrifolin suppress KRAS expression in human colon cancer cells. Neogrifolin has anti-cell viability activity against HeLa, SW480 and HT29 cells wih IC50s of 24.3, 34.6, and 30.1 μM, respectively[1]. | [Definition]
ChEBI: Neogrifolin is a sesquiterpenoid. | [References]
[1] Yaqoob A, et al. Grifolin, neogrifolin and confluentin from the terricolous polypore Albatrellus flettii suppress KRAS expression in human colon cancer cells. PLoS One. 2020 May 5;15(5):e0231948. DOI:10.1371/journal.pone.0231948 |
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