Summary

IMPPAT Phytochemical identifier: IMPHY001305

Phytochemical name: Hydroxysanguinarine

Synonymous chemical names:
oxysanguinarine

External chemical identifiers:
CID:443716, ChEBI:31679, ZINC:ZINC000000900926, MolPort-046-153-795

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Chemical structure information

SMILES:
Cn1c(=O)c2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2

InChI:
InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3

InChIKey:
UFHGABBBZRPRJV-UHFFFAOYSA-N

DeepSMILES:
Cnc=O)ccOCOc5ccc9cc%13cccOCOc5cc9cc%13

Functional groups:
c1cOCO1, c=O, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1[nH]c2c3cc4c(cc3ccc2c2ccc3c(c12)OCO3)OCO4

Scaffold Graph/Node level:
OC1NC2C3CC4OCOC4CC3CCC2C2CCC3OCOC3C12

Scaffold Graph level:
CC1CC2C3CC4CCCC4CC3CCC2C2CCC3CCCC3C12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 0.69

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Chemical structure download