Summary

IMPPAT Phytochemical identifier: IMPHY001883

Phytochemical name: Cryptodorine

Synonymous chemical names:
(+)-cryptodorine

External chemical identifiers:
CID:11438278, ChEBI:174959

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Chemical structure information

SMILES:
C1NC2Cc3cc4OCOc4cc3-c3c2c(C1)cc1c3OCO1

InChI:
InChI=1S/C18H15NO4/c1-2-19-12-3-10-5-13-14(21-7-20-13)6-11(10)17-16(12)9(1)4-15-18(17)23-8-22-15/h4-6,12,19H,1-3,7-8H2

InChIKey:
OMIDMWVBRZAVMK-UHFFFAOYSA-N

DeepSMILES:
CNCCcccOCOc5cc9-cc%13cC%17)ccc6OCO5

Functional groups:
CNC, c1cOCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1c2c(cc3c1OCO3)-c1c3c(cc4c1C(C2)NCC4)OCO3

Scaffold Graph/Node level:
C1CC2CC3OCOC3C3C4CC5OCOC5CC4CC(N1)C23

Scaffold Graph level:
C1CC2CC3CC4CCCC5CC6CCCC6C(C3CC2C1)C54

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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, Isoquinoline alkaloids

NP-Likeness score: 1.721

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Chemical structure download