Summary
SMILES: COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(O)c(cc1)OCInChI: InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1InChIKey: KNWVMRVOBAFFMH-HNNXBMFYSA-N
DeepSMILES: COcccCCN[C@H]c6cc%10O))))CccC6)cO)ccc6))OC
Scaffold Graph/Node/Bond level: c1ccc2c(c1)CC1c3ccccc3CCN1C2
Scaffold Graph/Node level: C1CCC2CN3CCC4CCCCC4C3CC2C1
Scaffold Graph level: C1CCC2CC3C(CCC4CCCCC43)CC2C1
Functional groups: CN(C)C; cO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Protoberberine alkaloids and derivatives
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Isoquinoline alkaloids|Protoberberine alkaloids
Synonymous chemical names:(-)-scoulerine, (-)scoulerine, (s)-scoulerine, aequaline, scoulerine
External chemical identifiers:CID:439654; ChEMBL:CHEMBL1235966; ChEBI:17129; ZINC:ZINC000028465419; SureChEMBL:SCHEMBL679505; MolPort-046-153-752
Chemical structure download