Summary
IMPPAT Phytochemical identifier: IMPHY002981
Phytochemical name: Horhammerinine
Synonymous chemical names:horhammerinine
External chemical identifiers:CID:269014
Chemical structure information
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-NDeepSMILES:
COcccccc6)NC=CCCCC96CCN5CCC9O3)))))))))CO)C))))C=O)OCFunctional groups:
CC1OC1C, CN(C)C, CO, cNC(C)=C(C)C(=O)OC, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=C2Nc3ccccc3C23CCN2CC4OC4C(C1)C23Scaffold Graph/Node level:
C1CCC2C(C1)NC1CCC3C4OC4CN4CCC12C34Scaffold Graph level:
C1CCC2C(C1)CC1CCC3C4CC4CC4CCC12C43
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Aspidospermatan-type alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Aspidosperma type
NP-Likeness score: 2.05
Chemical structure download
