Summary

IMPPAT Phytochemical identifier: IMPHY007803

Phytochemical name: Dehydroglaucine

Synonymous chemical names:
dehydroglaucine

External chemical identifiers:
CID:398788, ChEMBL:CHEMBL1412163, ZINC:ZINC000001092562, SureChEMBL:SCHEMBL14029309, MolPort-004-954-691

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Chemical structure information

SMILES:
COc1cc2c(cc1OC)cc1c3c2c(OC)c(OC)cc3CCN1C

InChI:
InChI=1S/C21H23NO4/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/h8-11H,6-7H2,1-5H3

InChIKey:
RZUHGAKUNBFQJS-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC))))cccc6cOC))cOC))cc6CCN%10C

Functional groups:
cN(C)C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)cc1c3c(cccc32)CCN1

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

NP-Likeness score: 0.797

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Chemical structure download