Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013585

Phytochemical name: Glaudine

Synonymous chemical names:
Glaudine, glaudine

External chemical identifiers:
CID:CID_633491

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Chemical structure information

SMILES:
COC1OC2c3cc(OC)c(cc3CCN(C2c2c1c1OCOc1cc2)C)OC

InChI:
InChI=1S/C22H25NO6/c1-23-8-7-12-9-16(24-2)17(25-3)10-14(12)20-19(23)13-5-6-15-21(28-11-27-15)18(13)22(26-4)29-20/h5-6,9-10,19-20,22H,7-8,11H2,1-4H3

InChIKey:
STJFYCWYHROASW-UHFFFAOYSA-N

DeepSMILES:
COCOCcccOC))ccc6CCNC%11cc%15cOCOc5cc9))))))))))C))))))OC

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCNC1c3ccc4c(c3COC21)OCO4

Scaffold Graph/Node level:
C1CCC2C(C1)CCNC1C3CCC4OCOC4C3COC21

Scaffold Graph level:
C1CCC2C(C1)CCCC1C2CCC2C3CCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Rhoeadine alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 1.542

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Chemical structure download