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2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol

PropertiesImage
MNX_IDMNXM34345 Image of MNXM34345
referencechebi:79678
formulaC25H31NO3
global charge0
mol weight393.527
InChIKeyKVMDJZAOBOVORV-UHFFFAOYSA-N
InChIInChI=1S/C25H31NO3/c1-5-20-21-14-18(16-26-12-6-7-13-26)22(27)15-23(21)29-25(2,3)24(20)17-8-10-19(28-4)11-9-17/h8-11,14-15,27H,5-7,12-13,16H2,1-4H3
SMILESCCC1=C(C2=CC=C(OC)C=C2)C(C)(C)OC2=C1C=C(CN1CCCC1)C(O)=C2
MNX internals
InChI (mnx)InChI=1/C25H31NO3/c1-5-20-21-14-18(16-26-12-6-7-13-26)22(27)15-23(21)29-25(2,3)24(20)17-8-10-19(28-4)11-9-17/h8-11,14-15,27H,5-7,12-13,16H2,1-4H3 Image of MNXM34345
SMILES (mnx)[CH3:1][CH2:5][C:20]1=[C:24]([C:17]2=[CH:9][CH:11]=[C:19]([O:28][CH3:4])[CH:10]=[CH:8]2)[C:25]([CH3:2])([CH3:3])[O:29][C:23]2=[C:21]1[CH:14]=[C:18]([CH2:16][N:26]1[CH2:12][CH2:6][CH2:7][CH2:13]1)[C:22]([OH:27])=[CH:15]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:79678
chebi:79678
KVMDJZAOBOVORV-UHFFFAOYSA-N 		2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol
4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-6-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-7-ol

seed.compound:cpd10854
seedM:cpd10854
KVMDJZAOBOVORV-UHFFFAOYSA-O 		2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)- 2H-1-benzopyran-7-ol
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol

kegg.compound:C15160
keggC:C15160
KVMDJZAOBOVORV-UHFFFAOYSA-N 		2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol

keggC:M_C15160
seedM:M_cpd10854 		secondary/obsolete/fantasy identifier