Summary

IMPPAT Phytochemical identifier: IMPHY002079

Phytochemical name: Lysicamine

Synonymous chemical names:
iysicamine, lysicamine

External chemical identifiers:
CID:122691, ChEMBL:CHEMBL510090, ChEBI:70650, FDASRS:6L30DD6R7O, SureChEMBL:SCHEMBL2046474, MolPort-044-754-181

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Chemical structure information

SMILES:
COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2

InChI:
InChI=1S/C18H13NO3/c1-21-13-9-10-7-8-19-16-14(10)15(18(13)22-2)11-5-3-4-6-12(11)17(16)20/h3-9H,1-2H3

InChIKey:
DPBMWJXWUINLQT-UHFFFAOYSA-N

DeepSMILES:
COccOC))cccc6-cccccc6C=O)c%10ncc%14

Functional groups:
cC(c)=O, cOC, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2-c2cccc3ccnc1c23

Scaffold Graph/Node level:
OC1C2CCCCC2C2CCCC3CCNC1C32

Scaffold Graph level:
CC1C2CCCCC2C2CCCC3CCCC1C32

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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: 0.901

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Chemical structure download