Summary

IMPPAT Phytochemical identifier: IMPHY011905

Phytochemical name: dl-Narcotine

Synonymous chemical names:
gnoscopine

External chemical identifiers:
CID:262535, ChEBI:94697, ZINC:ZINC000019418979, FDASRS:Z4241U523E

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Chemical structure information

SMILES:
COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1N(C)CCc2c1c(OC)c1c(c2)OCO1

InChI:
InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m0/s1

InChIKey:
AKNNEGZIBPJZJG-ZWKOTPCHSA-N

DeepSMILES:
COcccccc6OC)))C=O)O[C@H]5[C@H]NC)CCcc6cOC))ccc6)OCO5

Functional groups:
CN(C)C, c1cOCO1, cC(=O)OC, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC(C2NCCc3cc4c(cc32)OCO4)c2ccccc21

Scaffold Graph/Node level:
OC1OC(C2NCCC3CC4OCOC4CC32)C2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCC3CC4CCCC4CC32)C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Phthalide isoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids, Tetrahydroisoquinoline alkaloids

NP-Likeness score: 1.336

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Chemical structure download