Summary
SMILES: COc1ccc2c(c1)NC1=C(CC3(C4C21CCN4CC1C3O1)C(O)C)C(=O)OCInChI: InChI=1S/C22H26N2O5/c1-11(25)22-9-13(19(26)28-3)17-21(14-5-4-12(27-2)8-15(14)23-17)6-7-24(20(21)22)10-16-18(22)29-16/h4-5,8,11,16,18,20,23,25H,6-7,9-10H2,1-3H3InChIKey: JHLKAIJXPRFWJH-UHFFFAOYSA-N
DeepSMILES: COcccccc6)NC=CCCCC96CCN5CCC9O3)))))))))CO)C))))C=O)OC
Scaffold Graph/Node/Bond level: C1=C2Nc3ccccc3C23CCN2CC4OC4C(C1)C23
Scaffold Graph/Node level: C1CCC2C(C1)NC1CCC3C4OC4CN4CCC12C34
Scaffold Graph level: C1CCC2C(C1)CC1CCC3C4CC4CC4CCC12C43
Functional groups: CC1OC1C; CN(C)C; CO; cNC(C)=C(C)C(=O)OC; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Aspidospermatan-type alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Aspidosperma type
Synonymous chemical names:horhammerinine
External chemical identifiers:CID:269014
Chemical structure download