Summary
IMPPAT Phytochemical identifier: IMPHY013212
Phytochemical name: Epoxyfarnachrol
Synonymous chemical names:epoxyfarnachrol
External chemical identifiers:CID:14563784
Chemical structure information
SMILES:
COc1cc2ccc(=O)oc2c(c1OCC1=C(C)CCC2=C1CCC1C2(C)O1)OCInChI:
InChI=1S/C24H26O6/c1-13-5-8-17-15(7-9-19-24(17,2)30-19)16(13)12-28-22-18(26-3)11-14-6-10-20(25)29-21(14)23(22)27-4/h6,10-11,19H,5,7-9,12H2,1-4H3InChIKey:
SXDAZBMPWBQUHL-UHFFFAOYSA-NDeepSMILES:
COcccccc=O)oc6cc%10OCC=CC)CCC=C6CCCC6C)O3))))))))))))))OCFunctional groups:
CC1=C(C)C2=C(CC1)C1(C)OC1CC2, c=O, cOC, coc
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=c1ccc2ccc(OCC3=CCCC4=C3CCC3OC43)cc2o1Scaffold Graph/Node level:
OC1CCC2CCC(OCC3CCCC4C3CCC3OC34)CC2O1Scaffold Graph level:
CC1CCC2CCC(CCC3CCCC4C3CCC3CC34)CC2C1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Coumarins and derivatives
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Coumarins
NP Classifier Class: Simple coumarins
NP-Likeness score: 1.736
Chemical structure download
