Summary

IMPPAT Phytochemical identifier: IMPHY001677

Phytochemical name: 6-Methoxydihydrosanguinarine72401-54-8

Synonymous chemical names:
(-)8-methoxydihydrosanguinarine

External chemical identifiers:
CID:14847270, ChEMBL:CHEMBL4171637, MolPort-046-158-454

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Chemical structure information

SMILES:
COC1c2c3OCOc3ccc2-c2c(N1C)c1cc3OCOc3cc1cc2

InChI:
InChI=1S/C21H17NO5/c1-22-19-13(4-3-11-7-16-17(8-14(11)19)26-9-25-16)12-5-6-15-20(27-10-24-15)18(12)21(22)23-2/h3-8,21H,9-10H2,1-2H3

InChIKey:
MHPDDMNAUJQRSW-UHFFFAOYSA-N

DeepSMILES:
COCccOCOc5ccc9-ccN%13C))cccOCOc5cc9cc%13

Functional groups:
c1cOCO1, cC(OC)N(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c(c3c1OCO3)CNc1c-2ccc2cc3c(cc12)OCO3

Scaffold Graph/Node level:
C1OC2CC3CCC4C5CCC6OCOC6C5CNC4C3CC2O1

Scaffold Graph level:
C1CC2CC3CCC4C(CCC5C6CCCC6CCC54)C3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Benzophenanthridine alkaloids

ClassyFire Subclass: Dihydrobenzophenanthridine alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 1.221

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Chemical structure download