Summary

IMPPAT Phytochemical identifier: IMPHY013882

Phytochemical name: 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (S)-

Synonymous chemical names:
n,o,o-trimethylsparsiflorine

External chemical identifiers:
CID:158095, ChEMBL:CHEMBL455097

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Chemical structure information

SMILES:
COc1ccc2c(-c3c(OC)c(OC)cc4c3[C@H](C2)N(C)CC4)c1

InChI:
InChI=1S/C20H23NO3/c1-21-8-7-13-10-17(23-3)20(24-4)19-15-11-14(22-2)6-5-12(15)9-16(21)18(13)19/h5-6,10-11,16H,7-9H2,1-4H3/t16-/m0/s1

InChIKey:
RZERUPREKNWRRD-INIZCTEOSA-N

DeepSMILES:
COccccc-ccOC))cOC))ccc6[C@H]C%10)NC)CC6))))))))))c6

Functional groups:
CN(C)C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cccc-2c31

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 1.14

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Chemical structure download