Summary

IMPPAT Phytochemical identifier: IMPHY005150

Phytochemical name: Glaucine

Synonymous chemical names:
(+)-glaucine, glaucine, glaucine, d-

External chemical identifiers:
CID:16754, ChEMBL:CHEMBL228082, ChEBI:5373, ZINC:ZINC000000607911, FDASRS:NU19306XA7, SureChEMBL:SCHEMBL146441, MolPort-000-880-959

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Chemical structure information

SMILES:
COc1cc2-c3c(OC)c(OC)cc4c3[C@H](Cc2cc1OC)N(C)CC4

InChI:
InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1

InChIKey:
RUZIUYOSRDWYQF-HNNXBMFYSA-N

DeepSMILES:
COccc-ccOC))cOC))ccc6[C@H]Cc%10cc%14OC))))))NC)CC6

Functional groups:
CN(C)C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cccc-2c31

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CCCC2C31

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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: 1.176

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Chemical structure download