Summary

IMPPAT Phytochemical identifier: IMPHY008658

Phytochemical name: Glaziovine

Synonymous chemical names:
glaziovine, glaziovine.(+)-

External chemical identifiers:
CID:65631, ChEMBL:CHEMBL1980854, FDASRS:KE7J8A65P6, SureChEMBL:SCHEMBL554440

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Chemical structure information

SMILES:
COc1cc2CCN(C3c2c(c1O)C1(C=CC(=O)C=C1)C3)C

InChI:
InChI=1S/C18H19NO3/c1-19-8-5-11-9-14(22-2)17(21)16-15(11)13(19)10-18(16)6-3-12(20)4-7-18/h3-4,6-7,9,13,21H,5,8,10H2,1-2H3

InChIKey:
PNJUPRNTSWJWAX-UHFFFAOYSA-N

DeepSMILES:
COcccCCNCc6cc%10O))CC=CC=O)C=C6)))))C5)))))C

Functional groups:
CN(C)C, O=C1C=CCC=C1, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2(C=C1)CC1NCCc3cccc2c31

Scaffold Graph/Node level:
OC1CCC2(CC1)CC1NCCC3CCCC2C31

Scaffold Graph level:
CC1CCC2(CC1)CC1CCCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Proaporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 1.909

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Chemical structure download