Summary
IMPPAT Phytochemical identifier: IMPHY006086
Phytochemical name: Nirphyllin
Synonymous chemical names:nirphyllin
External chemical identifiers:CID:5491556
Chemical structure information
SMILES:
COC[C@@H]([C@@H](Cc1cc(OC)c(c(c1)OC)O)COC)Cc1cc(OC)c2c(c1)OCO2InChI:
InChI=1S/C24H32O8/c1-26-12-17(6-15-8-19(28-3)23(25)20(9-15)29-4)18(13-27-2)7-16-10-21(30-5)24-22(11-16)31-14-32-24/h8-11,17-18,25H,6-7,12-14H2,1-5H3/t17-,18-/m0/s1InChIKey:
RYZNPFYAGDHZDT-ROUUACIJSA-NDeepSMILES:
COC[C@@H][C@@H]CcccOC))ccc6)OC)))O))))))COC))))CcccOC))ccc6)OCO5Functional groups:
COC, c1cOCO1, cO, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc(CCCCc2ccc3c(c2)OCO3)cc1Scaffold Graph/Node level:
C1CCC(CCCCC2CCC3OCOC3C2)CC1Scaffold Graph level:
C1CCC(CCCCC2CCC3CCCC3C2)CC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lignans, neolignans and related compoundsClassyFire Class: Dibenzylbutane lignans
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Lignans
NP Classifier Class: Dibenzylbutane lignans
NP-Likeness score: 0.787
Chemical structure download
