Summary
SMILES: COc1cc2CCN([C@]3(c2cc1O)Cc1c([C@H]3O)c2OCOc2cc1)CInChI: InChI=1S/C20H21NO5/c1-21-6-5-11-7-16(24-2)14(22)8-13(11)20(21)9-12-3-4-15-18(26-10-25-15)17(12)19(20)23/h3-4,7-8,19,22-23H,5-6,9-10H2,1-2H3/t19-,20+/m1/s1InChIKey: YUIGSRGRYOBFRF-UXHICEINSA-N
DeepSMILES: COcccCCN[C@]c6cc%10O))))Ccc[C@H]5O))cOCOc5cc9)))))))))))C
Scaffold Graph/Node/Bond level: c1ccc2c(c1)CCNC21Cc2ccc3c(c2C1)OCO3
Scaffold Graph/Node level: C1CCC2C(C1)CCNC21CC2CCC3OCOC3C2C1
Scaffold Graph level: C1CCC2C(C1)CCCC21CC2CCC3CCCC3C2C1
Functional groups: CN(C)C; CO; c1cOCO1; cO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Tetrahydroisoquinolines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Isoquinoline alkaloids
Synonymous chemical names:dihydroparfumine, fumaritine
External chemical identifiers:CID:21627986; ZINC:ZINC000105490305
Chemical structure download