Summary
SMILES: COc1c2CN3CC[C@]4(c2cc2c1OCO2)[C@H]3C[C@H]([C@H]1[C@@H]4O1)OInChI: InChI=1S/C17H19NO5/c1-20-13-8-6-18-3-2-17(9(8)4-11-15(13)22-7-21-11)12(18)5-10(19)14-16(17)23-14/h4,10,12,14,16,19H,2-3,5-7H2,1H3/t10-,12-,14+,16+,17+/m1/s1InChIKey: HHEOZJCKMANJQV-CUQLUGJVSA-N
DeepSMILES: COccCNCC[C@]c7ccc%11OCO5)))))))[C@H]5C[C@H][C@H][C@@H]6O3)))O
Scaffold Graph/Node/Bond level: c1c2c(cc3c1OCO3)C13CCN(C2)C1CCC1OC13
Scaffold Graph/Node level: C1OC2CC3CN4CCC5(C3CC2O1)C1OC1CCC45
Scaffold Graph level: C1CC2CC3CC4CCC5(C4CCC4CC45)C3CC2C1
Functional groups: CN(C)C; CO; C[C@H]1O[C@H]1C; c1cOCO1; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Amaryllidaceae alkaloids
ClassyFire Subclass: Crinine- and Haemanthamine-type amaryllidaceae alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Amarylidaceae alkaloids|Isoquinoline alkaloids
Synonymous chemical names:crinamidine
External chemical identifiers:CID:399204; ChEBI:31436; ZINC:ZINC000004102375
Chemical structure download