Summary

IMPPAT Phytochemical identifier: IMPHY001060

Phytochemical name: Laurifine

Synonymous chemical names:
laurifine

External chemical identifiers:
CID:442309, ChEBI:6391

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Chemical structure information

SMILES:
COc1ccc2c(-c3cc(OC)c(cc3CCNCC2)OC)c1

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

InChIKey:
QTERLNHMRBRQSX-UHFFFAOYSA-N

DeepSMILES:
COccccc-cccOC))ccc6CCNCC%13)))))))OC))))))c6

Functional groups:
CNC, 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: 0.233

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Chemical structure download