Summary

IMPPAT Phytochemical identifier: IMPHY008408

Phytochemical name: Homomoschatoline

Synonymous chemical names:
liridine

External chemical identifiers:
CID:145779, ChEMBL:CHEMBL227533, ZINC:ZINC000000338128

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Chemical structure information

SMILES:
COc1c(OC)c(OC)c2c3c1-c1ccccc1C(=O)c3ncc2

InChI:
InChI=1S/C19H15NO4/c1-22-17-12-8-9-20-15-13(12)14(18(23-2)19(17)24-3)10-6-4-5-7-11(10)16(15)21/h4-9H,1-3H3

InChIKey:
WXGQWNXTPSGPIX-UHFFFAOYSA-N

DeepSMILES:
COccOC))cOC))ccc6-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: 1.006

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Chemical structure download