Summary
SMILES: COc1cc2-c3c(C4=C[C@H]5N(C[C@@H]4c2cc1OC)CCC5)ccc(c3O)OCInChI: InChI=1S/C23H25NO4/c1-26-19-7-6-14-15-9-13-5-4-8-24(13)12-18(15)16-10-20(27-2)21(28-3)11-17(16)22(14)23(19)25/h6-7,9-11,13,18,25H,4-5,8,12H2,1-3H3/t13-,18-/m0/s1InChIKey: KXSJHSREHJDQJT-UGSOOPFHSA-N
DeepSMILES: COccc-ccC=C[C@H]NC[C@@H]6c%10cc%14OC)))))))CCC5)))))))cccc6O))OC
Scaffold Graph/Node/Bond level: C1=C2c3ccccc3-c3ccccc3C2CN2CCCC12
Scaffold Graph/Node level: C1CCC2C(C1)C1CCCCC1C1CN3CCCC3CC21
Scaffold Graph level: C1CC2CC3C4CCCCC4C4CCCCC4C3CC2C1
Functional groups: CN(C)C; cC(C)=CC; cO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: BenzenoidsClassyFire Class: Phenanthrenes and derivatives
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Isoquinoline alkaloids
Synonymous chemical names:tyloindicine h
External chemical identifiers:CID:373660; ChEMBL:CHEMBL1970992; ZINC:ZINC000005839269
Chemical structure download