Summary

IMPPAT Phytochemical identifier: IMPHY009318

Phytochemical name: Dihydrosanguinarine

Synonymous chemical names:
dihydroavicine, dihydrosanguinarine, dihydrosanguinarine/10-hydroxydihydrosanguinarine

External chemical identifiers:
CID:124069, ChEMBL:CHEMBL465678, ChEBI:17209, ZINC:ZINC000000895645, FDASRS:3H1ZKG80F7, SureChEMBL:SCHEMBL420383, MolPort-039-139-629

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Chemical structure information

SMILES:
CN1Cc2c3OCOc3ccc2-c2c1c1cc3OCOc3cc1cc2

InChI:
InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3

InChIKey:
CIUHLXZTZWTVFL-UHFFFAOYSA-N

DeepSMILES:
CNCccOCOc5ccc9-cc%13cccOCOc5cc9cc%13

Functional groups:
c1cOCO1, cN(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: 1.081

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Chemical structure download