Summary

IMPPAT Phytochemical identifier: IMPHY017060

Phytochemical name: 8-O-Methyloblongine

Synonymous chemical names:
8-o-methyloblongine

External chemical identifiers:
CID:131751584, ChEBI:171909

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Chemical structure information

SMILES:
COc1c(OC)ccc2c1C(Cc1ccc(cc1)O)[N+](CC2)(C)C

InChI:
InChI=1S/C20H25NO3/c1-21(2)12-11-15-7-10-18(23-3)20(24-4)19(15)17(21)13-14-5-8-16(22)9-6-14/h5-10,17H,11-13H2,1-4H3/p+1

InChIKey:
QZJMBSSODVCTRD-UHFFFAOYSA-O

DeepSMILES:
COccOC))cccc6CCcccccc6))O))))))[N+]CC6))C)C

Functional groups:
C[N+](C)(C)C, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CC2[NH2+]CCc3ccccc32)cc1

Scaffold Graph/Node level:
C1CCC(CC2NCCC3CCCCC32)CC1

Scaffold Graph level:
C1CCC(CC2CCCC3CCCCC32)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Isoquinolines and derivatives

ClassyFire Subclass: Benzylisoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 1.355

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Chemical structure download