Summary

IMPPAT Phytochemical identifier: IMPHY010629

Phytochemical name: Laurifinine

Synonymous chemical names:
laurifinine

Chemical structure information

SMILES:
COc1ccc2c(-c3cc(O)c(cc3CCN(CC2)C)OC)c1

InChI:
InChI=1S/C19H23NO3/c1-20-8-6-13-4-5-15(22-2)11-16(13)17-12-18(21)19(23-3)10-14(17)7-9-20/h4-5,10-12,21H,6-9H2,1-3H3

InChIKey:
OCSPAHZJLGPXRF-UHFFFAOYSA-N

DeepSMILES:
COccccc-cccO)ccc6CCNCC%13))C))))))OC))))))c6

Functional groups:
CN(C)C, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCNCCc1ccccc1-2

Scaffold Graph/Node level:
C1CCC2C(C1)CCNCCC1CCCCC12

Scaffold Graph level:
C1CCC2CCCCC2C2CCCCC2CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenol ethers

ClassyFire Subclass: Anisoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 0.341

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Chemical structure download