Summary

IMPPAT Phytochemical identifier: IMPHY006861

Phytochemical name: Rhazinilam

Synonymous chemical names:
rhazinilam

External chemical identifiers:
CID:11312435, ChEMBL:CHEMBL302501, SureChEMBL:SCHEMBL4908273

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Chemical structure information

SMILES:
CC[C@@]12CCCn3c2c(-c2ccccc2NC(=O)CC1)cc3

InChI:
InChI=1S/C19H22N2O/c1-2-19-10-5-12-21-13-9-15(18(19)21)14-6-3-4-7-16(14)20-17(22)8-11-19/h3-4,6-7,9,13H,2,5,8,10-12H2,1H3,(H,20,22)/t19-/m1/s1

InChIKey:
VLQAFTDOIRUYSZ-LJQANCHMSA-N

DeepSMILES:
CC[C@]CCCnc6c-cccccc6NC=O)CC%17))))))))))cc5

Functional groups:
cNC(C)=O, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2CCCn3ccc(c32)-c2ccccc2N1

Scaffold Graph/Node level:
OC1CCC2CCCN3CCC(C4CCCCC4N1)C23

Scaffold Graph level:
CC1CCC2CCCC3CCC(C4CCCCC4C1)C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Aspidosperma type

NP-Likeness score: 0.76

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Chemical structure download