IMPPAT Phytochemical information:
Erysovine
Summary
IMPPAT Phytochemical identifier: IMPHY005013
Phytochemical name: Erysovine
Synonymous chemical names:erysovine
External chemical identifiers:CID:5317203, ChEMBL:CHEMBL517778, ZINC:ZINC000015203660
Chemical structure information
SMILES:
CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc(O)c(cc1CC3)OCInChI:
InChI=1S/C18H21NO3/c1-21-14-4-3-13-6-8-19-7-5-12-9-17(22-2)16(20)10-15(12)18(13,19)11-14/h3-4,6,9-10,14,20H,5,7-8,11H2,1-2H3/t14?,18-/m0/s1InChIKey:
IHPMURIXWRKEKD-IBYPIGCZSA-NDeepSMILES:
CO[C@H]C=CC=CCN[C@]5C9)cccO)ccc6CC%10))))OCFunctional groups:
CC=C(C)C=CC, CN(C)C, COC, cO, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=CC2=CCN3CCc4ccccc4C23CC1Scaffold Graph/Node level:
C1CCC2C(C1)CCN1CCC3CCCCC321Scaffold Graph level:
C1CCC2C(C1)CCC1CCC3CCCCC312
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Erythrina alkaloids
ClassyFire Subclass: Erythrinanes
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Lysine alkaloids
NP Classifier Class: Indolizidine alkaloids
NP-Likeness score: 2.908
Chemical structure download